 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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                  8.279540D+00          -1.036900D-01
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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            S    20   1.00
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                  1.349768D+05          -8.570592D-06
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                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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                  1.340980D-01           1.971989D+00
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            S    1   1.00
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            ****
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                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
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            D    8   1.00
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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                  1.331400D+00          -1.187120D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
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                  1.750446D+00           2.750453D-01
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                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
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            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.2267020              0.3908730
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            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
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            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
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            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
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            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
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                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
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            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9895375/Gau-9780.inp" -scrdir="/scratch/9895375/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      9781.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Mar-2022 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=17_camphor_STD_B3LYPDBJ-augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq SCRF=(CPCM
 ,Solvent=CarbonTetraChloride)
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,70=2101,72=11,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,53=11,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Mar 16 20:01:08 2022, MaxMem=  6442450944 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "17_camphor_STD_B3LYPDBJ-augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.910316000000     -0.253311000000      0.424535000000
  C                                                -0.289079000000     -0.501719000000     -0.549394000000
  C                                                -0.059667000000      0.599997000000     -1.630032000000
  C                                                 0.585651000000      1.778272000000     -0.851006000000
  C                                                 0.592630000000      1.261466000000      0.600157000000
  C                                                -1.439834000000      0.064476000000      0.275892000000
  C                                                -0.872137000000      1.244025000000      1.064505000000
  C                                                -0.521043000000     -1.891627000000     -1.090393000000
  O                                                -2.581040000000     -0.329806000000      0.295933000000
  C                                                 2.280950000000     -0.526570000000     -0.193981000000
  C                                                 0.812755000000     -1.064712000000      1.719984000000
  H                                                 0.602880000000      0.210099000000     -2.402500000000
  H                                                -0.993630000000      0.874775000000     -2.120721000000
  H                                                 0.012163000000      2.700552000000     -0.942647000000
  H                                                 1.592648000000      1.988413000000     -1.208229000000
  H                                                -0.987358000000      1.054645000000      2.132193000000
  H                                                -1.420572000000      2.158925000000      0.835614000000
  H                                                 1.267510000000      1.795909000000      1.267576000000
  H                                                -1.412768000000     -1.913445000000     -1.718472000000
  H                                                -0.671544000000     -2.611393000000     -0.284485000000
  H                                                 0.327008000000     -2.221321000000     -1.692751000000
  H                                                 2.436592000000     -0.024649000000     -1.146186000000
  H                                                 2.419031000000     -1.596862000000     -0.357213000000
  H                                                 3.067254000000     -0.194998000000      0.488260000000
  H                                                -0.166885000000     -1.013617000000      2.193865000000
  H                                                 1.551601000000     -0.712710000000      2.443098000000
  H                                                 1.021142000000     -2.117665000000      1.523545000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Wed Mar 16 20:01:08 2022, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.910316   -0.253311    0.424535
      2          6           0       -0.289079   -0.501719   -0.549394
      3          6           0       -0.059667    0.599997   -1.630032
      4          6           0        0.585651    1.778272   -0.851006
      5          6           0        0.592630    1.261466    0.600157
      6          6           0       -1.439834    0.064476    0.275892
      7          6           0       -0.872137    1.244025    1.064505
      8          6           0       -0.521043   -1.891627   -1.090393
      9          8           0       -2.581040   -0.329806    0.295933
     10          6           0        2.280950   -0.526570   -0.193981
     11          6           0        0.812755   -1.064712    1.719984
     12          1           0        0.602880    0.210099   -2.402500
     13          1           0       -0.993630    0.874775   -2.120721
     14          1           0        0.012163    2.700552   -0.942647
     15          1           0        1.592648    1.988413   -1.208229
     16          1           0       -0.987358    1.054645    2.132193
     17          1           0       -1.420572    2.158925    0.835614
     18          1           0        1.267510    1.795909    1.267576
     19          1           0       -1.412768   -1.913445   -1.718472
     20          1           0       -0.671544   -2.611393   -0.284485
     21          1           0        0.327008   -2.221321   -1.692751
     22          1           0        2.436592   -0.024649   -1.146186
     23          1           0        2.419031   -1.596862   -0.357213
     24          1           0        3.067254   -0.194998    0.488260
     25          1           0       -0.166885   -1.013617    2.193865
     26          1           0        1.551601   -0.712710    2.443098
     27          1           0        1.021142   -2.117665    1.523545
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.564862   0.000000
     3  C    2.426983   1.560188   0.000000
     4  C    2.420690   2.460586   1.552948   0.000000
     5  C    1.557664   2.282038   2.415942   1.540458   0.000000
     6  C    2.376192   1.525094   2.413336   2.882635   2.380933
     7  C    2.414273   2.447907   2.887111   2.465715   1.536706
     8  C    2.651014   1.509414   2.590805   3.840604   3.747028
     9  O    3.494561   2.448922   3.306236   3.973335   3.563268
    10  C    1.528355   2.594607   2.968145   2.935646   2.584212
    11  C    1.531691   2.584778   3.841222   3.839808   2.591056
    12  H    2.881214   2.176299   1.089815   2.206036   3.181419
    13  H    3.372820   2.204585   1.090214   2.218696   3.173157
    14  H    3.376562   3.240360   2.211332   1.089902   2.188185
    15  H    2.856015   3.189940   2.199037   1.088949   2.190604
    16  H    2.868451   3.178171   3.901494   3.449271   2.210491
    17  H    3.379483   3.205862   3.218964   2.648493   2.216722
    18  H    2.244462   3.317144   3.404076   2.225676   1.089284
    19  H    3.570048   2.149975   2.855888   4.286601   4.413357
    20  H    2.926695   2.160366   3.535239   4.601157   4.168904
    21  H    2.948934   2.154962   2.848383   4.095385   4.178252
    22  H    2.202038   2.830731   2.618320   2.600700   2.846753
    23  H    2.166213   2.927479   3.548267   3.872550   3.524534
    24  H    2.158667   3.526439   3.859639   3.441770   2.873599
    25  H    2.206571   2.793285   4.151799   4.199071   2.879717
    26  H    2.167231   3.519606   4.572720   4.241364   2.865908
    27  H    2.167007   2.936841   4.301033   4.583282   3.529135
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.528243   0.000000
     8  C    2.556805   3.820885   0.000000
     9  O    1.207564   2.447038   2.933389   0.000000
    10  C    3.796623   3.828936   3.243162   4.890570   0.000000
    11  C    2.904242   2.932368   3.218855   3.753112   2.471529
    12  H    3.371598   3.907020   2.720676   4.208371   2.869870
    13  H    2.568937   3.208858   2.989631   3.132268   4.049564
    14  H    3.246849   2.632891   4.625391   4.176344   4.015247
    15  H    3.885884   3.434326   4.419987   5.005628   2.797785
    16  H    2.151981   1.090458   4.391245   2.797924   4.311979
    17  H    2.168035   1.090969   4.574454   2.798522   4.687560
    18  H    3.363184   2.218987   4.728304   4.502676   2.925255
    19  H    2.808984   4.243449   1.090932   2.816132   4.229781
    20  H    2.839818   4.089530   1.090963   3.031287   3.615508
    21  H    3.496020   4.587922   1.091203   3.998679   2.989378
    22  H    4.130003   4.176647   3.498046   5.229671   1.087586
    23  H    4.248730   4.574244   3.044417   5.199302   1.091438
    24  H    4.519543   4.233397   4.271600   5.653175   1.092551
    25  H    2.541910   2.621027   3.417994   3.146091   3.454116
    26  H    3.774849   3.406440   4.262776   4.672864   2.742405
    27  H    3.517781   3.885381   3.043370   4.204662   2.658683
                   11         12         13         14         15
    11  C    0.000000
    12  H    4.320193   0.000000
    13  H    4.666439   1.752152   0.000000
    14  H    4.680573   2.946604   2.394356   0.000000
    15  H    4.301655   2.359730   2.960011   1.753741   0.000000
    16  H    2.811049   4.879094   4.256721   3.628043   4.322820
    17  H    4.020161   4.286918   3.251344   2.346977   3.644978
    18  H    2.931660   4.052898   4.176338   2.698029   2.504473
    19  H    4.182855   3.006688   2.848096   4.890941   4.951502
    20  H    2.934836   3.751128   3.953336   5.396053   5.209423
    21  H    3.635994   2.547872   3.393089   4.988649   4.422496
    22  H    3.454491   2.235158   3.677649   3.653218   2.183692
    23  H    2.679189   3.278218   4.567845   4.960193   3.776418
    24  H    2.712252   3.820175   4.943883   4.445817   3.133659
    25  H    1.089435   4.818360   4.781755   4.864650   4.866455
    26  H    1.092105   5.023093   5.461387   5.048118   4.542019
    27  H    1.091203   4.583368   5.127834   5.505938   4.964784
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.757335   0.000000
    18  H    2.526156   2.746663   0.000000
    19  H    4.880384   4.807038   5.464401   0.000000
    20  H    4.402261   4.956975   5.058966   1.758654   0.000000
    21  H    5.204777   5.351002   5.078013   1.766995   1.769880
    22  H    4.861695   4.855228   3.241517   4.325810   4.134523
    23  H    4.983083   5.501938   3.934061   4.078717   3.253647
    24  H    4.550165   5.079586   2.794660   5.281413   4.518264
    25  H    2.225913   3.671730   3.287695   4.203367   2.991620
    26  H    3.109103   4.434423   2.784911   5.248611   3.998385
    27  H    3.803692   4.972367   3.929666   4.059101   2.525456
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.094260   0.000000
    23  H    2.559330   1.759159   0.000000
    24  H    4.046201   1.760161   1.760750   0.000000
    25  H    4.099788   4.348803   3.679013   3.746849   0.000000
    26  H    4.569549   3.760266   3.062009   2.527177   1.762344
    27  H    3.291979   3.675823   2.400537   2.992497   1.754896
                   26         27
    26  H    0.000000
    27  H    1.760927   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.73D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.910316   -0.253311    0.424535
      2          6           0       -0.289079   -0.501719   -0.549394
      3          6           0       -0.059667    0.599997   -1.630032
      4          6           0        0.585650    1.778272   -0.851006
      5          6           0        0.592629    1.261466    0.600157
      6          6           0       -1.439834    0.064476    0.275892
      7          6           0       -0.872138    1.244025    1.064505
      8          6           0       -0.521042   -1.891627   -1.090393
      9          8           0       -2.581040   -0.329807    0.295933
     10          6           0        2.280950   -0.526569   -0.193981
     11          6           0        0.812755   -1.064712    1.719984
     12          1           0        0.602880    0.210099   -2.402500
     13          1           0       -0.993630    0.874775   -2.120721
     14          1           0        0.012162    2.700552   -0.942647
     15          1           0        1.592647    1.988414   -1.208229
     16          1           0       -0.987358    1.054645    2.132193
     17          1           0       -1.420573    2.158925    0.835614
     18          1           0        1.267509    1.795910    1.267576
     19          1           0       -1.412767   -1.913445   -1.718472
     20          1           0       -0.671543   -2.611393   -0.284485
     21          1           0        0.327009   -2.221321   -1.692751
     22          1           0        2.436592   -0.024648   -1.146186
     23          1           0        2.419032   -1.596861   -0.357213
     24          1           0        3.067254   -0.194997    0.488260
     25          1           0       -0.166885   -1.013617    2.193865
     26          1           0        1.551601   -0.712709    2.443098
     27          1           0        1.021143   -2.117664    1.523545
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4526652           1.1851593           1.0990374
 Leave Link  202 at Wed Mar 16 20:01:08 2022, MaxMem=  6442450944 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       688.2147239436 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0542598652 Hartrees.
 Nuclear repulsion after empirical dispersion term =      688.1604640785 Hartrees.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : C-PCM.
 Atomic radii         : UFF (Universal Force Field).
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : Scaled VdW (van der Waals Surface) (Alpha=1.100).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   27.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: York/Karplus (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 Solvent              : CarbonTetraChloride, Eps=   2.228000 Eps(inf)=   2.131892
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      27
 GePol: Total number of spheres                      =      27
 GePol: Number of exposed spheres                    =      27 (100.00%)
 GePol: Number of points                             =    1708
 GePol: Average weight of points                     =       0.13
 GePol: Minimum weight of points                     =   0.28D-10
 GePol: Maximum weight of points                     =    0.20577
 GePol: Number of points with low weight             =     119
 GePol: Fraction of low-weight points (<1% of avg)   =       6.97%
 GePol: Cavity surface area                          =    224.817 Ang**2
 GePol: Cavity volume                                =    242.585 Ang**3
 Leave Link  301 at Wed Mar 16 20:01:10 2022, MaxMem=  6442450944 cpu:              13.8 elap:               1.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  3.36D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Wed Mar 16 20:01:10 2022, MaxMem=  6442450944 cpu:               5.5 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Mar 16 20:01:10 2022, MaxMem=  6442450944 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "17_camphor_STD_B3LYPDBJ-augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Mar 16 20:01:11 2022, MaxMem=  6442450944 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442092371 LenY=  6441916369
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Inv3:  Mode=1 IEnd=     8751792.
 Iteration    1 A*A^-1 deviation from unit magnitude is 4.00D-15 for   1696.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.53D-15 for   1672    854.
 Iteration    1 A^-1*A deviation from unit magnitude is 4.22D-15 for   1696.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.06D-15 for    840    732.
 E= -466.028282667494    
 DIIS: error= 1.50D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -466.028282667494     IErMin= 1 ErrMin= 1.50D-03
 ErrMax= 1.50D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.07D-03 BMatP= 5.07D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.50D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.221 Goal=   None    Shift=    0.000
 GapD=    0.221 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.15D-02 MaxDP=3.82D+00              OVMax= 1.69D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.80D-02    CP:  1.49D+00
 E= -466.032428106837     Delta-E=       -0.004145439344 Rises=F Damp=F
 DIIS: error= 3.66D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -466.032428106837     IErMin= 2 ErrMin= 3.66D-04
 ErrMax= 3.66D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.92D-05 BMatP= 5.07D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.66D-03
 Coeff-Com:  0.139D-01 0.986D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.139D-01 0.986D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.10D-03 MaxDP=1.57D-01 DE=-4.15D-03 OVMax= 5.32D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.18D-04    CP:  1.51D+00  1.03D+00
 E= -466.032248002832     Delta-E=        0.000180104005 Rises=F Damp=F
 DIIS: error= 6.71D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -466.032428106837     IErMin= 2 ErrMin= 3.66D-04
 ErrMax= 6.71D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.26D-04 BMatP= 8.92D-05
 IDIUse=3 WtCom= 2.79D-01 WtEn= 7.21D-01
 Coeff-Com: -0.784D-02 0.665D+00 0.342D+00
 Coeff-En:   0.000D+00 0.737D+00 0.263D+00
 Coeff:     -0.219D-02 0.717D+00 0.285D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=1.11D-04 MaxDP=6.69D-03 DE= 1.80D-04 OVMax= 3.28D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.34D-05    CP:  1.51D+00  1.03D+00  9.46D-01
 E= -466.032498058362     Delta-E=       -0.000250055530 Rises=F Damp=F
 DIIS: error= 6.11D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -466.032498058362     IErMin= 4 ErrMin= 6.11D-05
 ErrMax= 6.11D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.31D-06 BMatP= 8.92D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.438D-02 0.241D+00 0.430D-01 0.720D+00
 Coeff:     -0.438D-02 0.241D+00 0.430D-01 0.720D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=4.88D-05 MaxDP=4.31D-03 DE=-2.50D-04 OVMax= 4.06D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.52D-05    CP:  1.51D+00  1.03D+00  9.67D-01  1.21D+00
 E= -466.032502524177     Delta-E=       -0.000004465816 Rises=F Damp=F
 DIIS: error= 1.56D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -466.032502524177     IErMin= 5 ErrMin= 1.56D-05
 ErrMax= 1.56D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.74D-07 BMatP= 5.31D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.819D-03 0.982D-02-0.267D-01 0.342D+00 0.676D+00
 Coeff:     -0.819D-03 0.982D-02-0.267D-01 0.342D+00 0.676D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=1.82D-05 MaxDP=1.86D-03 DE=-4.47D-06 OVMax= 8.47D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.12D-05    CP:  1.51D+00  1.03D+00  9.89D-01  1.23D+00  8.61D-01
 E= -466.032502887349     Delta-E=       -0.000000363172 Rises=F Damp=F
 DIIS: error= 2.37D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -466.032502887349     IErMin= 6 ErrMin= 2.37D-06
 ErrMax= 2.37D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.30D-09 BMatP= 3.74D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.210D-03-0.111D-02-0.103D-01 0.112D+00 0.241D+00 0.658D+00
 Coeff:     -0.210D-03-0.111D-02-0.103D-01 0.112D+00 0.241D+00 0.658D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=2.42D-06 MaxDP=2.56D-04 DE=-3.63D-07 OVMax= 2.07D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.55D-06    CP:  1.51D+00  1.03D+00  9.92D-01  1.23D+00  8.93D-01
                    CP:  1.06D+00
 E= -466.032502891679     Delta-E=       -0.000000004330 Rises=F Damp=F
 DIIS: error= 1.23D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -466.032502891679     IErMin= 7 ErrMin= 1.23D-06
 ErrMax= 1.23D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-09 BMatP= 5.30D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.593D-05-0.155D-02-0.155D-02 0.120D-01 0.287D-01 0.335D+00
 Coeff-Com:  0.628D+00
 Coeff:     -0.593D-05-0.155D-02-0.155D-02 0.120D-01 0.287D-01 0.335D+00
 Coeff:      0.628D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=8.31D-07 MaxDP=8.13D-05 DE=-4.33D-09 OVMax= 7.51D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.92D-07    CP:  1.51D+00  1.03D+00  9.93D-01  1.23D+00  8.99D-01
                    CP:  1.09D+00  8.81D-01
 E= -466.032502892855     Delta-E=       -0.000000001176 Rises=F Damp=F
 DIIS: error= 1.12D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -466.032502892855     IErMin= 8 ErrMin= 1.12D-07
 ErrMax= 1.12D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-11 BMatP= 1.18D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.831D-05-0.335D-03 0.108D-03-0.251D-02-0.499D-02 0.595D-01
 Coeff-Com:  0.170D+00 0.778D+00
 Coeff:      0.831D-05-0.335D-03 0.108D-03-0.251D-02-0.499D-02 0.595D-01
 Coeff:      0.170D+00 0.778D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=1.93D-07 MaxDP=2.44D-05 DE=-1.18D-09 OVMax= 1.04D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.96D-08    CP:  1.51D+00  1.03D+00  9.93D-01  1.24D+00  9.01D-01
                    CP:  1.09D+00  9.06D-01  1.05D+00
 E= -466.032502892832     Delta-E=        0.000000000023 Rises=F Damp=F
 DIIS: error= 5.52D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -466.032502892855     IErMin= 9 ErrMin= 5.52D-08
 ErrMax= 5.52D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.50D-12 BMatP= 1.59D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.429D-05-0.125D-03 0.810D-04-0.141D-02-0.287D-02 0.196D-01
 Coeff-Com:  0.635D-01 0.375D+00 0.547D+00
 Coeff:      0.429D-05-0.125D-03 0.810D-04-0.141D-02-0.287D-02 0.196D-01
 Coeff:      0.635D-01 0.375D+00 0.547D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=3.29D-08 MaxDP=2.32D-06 DE= 2.25D-11 OVMax= 3.67D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.39D-08    CP:  1.51D+00  1.03D+00  9.93D-01  1.23D+00  9.01D-01
                    CP:  1.09D+00  9.10D-01  1.06D+00  9.48D-01
 E= -466.032502892849     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 1.38D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 8 EnMin= -466.032502892855     IErMin=10 ErrMin= 1.38D-08
 ErrMax= 1.38D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-13 BMatP= 2.50D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.740D-06-0.690D-05 0.263D-04-0.342D-03-0.726D-03 0.272D-03
 Coeff-Com:  0.437D-02 0.562D-01 0.223D+00 0.717D+00
 Coeff:      0.740D-06-0.690D-05 0.263D-04-0.342D-03-0.726D-03 0.272D-03
 Coeff:      0.437D-02 0.562D-01 0.223D+00 0.717D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=1.19D-08 MaxDP=9.56D-07 DE=-1.71D-11 OVMax= 1.05D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.06D-09    CP:  1.51D+00  1.03D+00  9.93D-01  1.24D+00  9.01D-01
                    CP:  1.09D+00  9.13D-01  1.07D+00  9.65D-01  9.19D-01
 E= -466.032502892917     Delta-E=       -0.000000000067 Rises=F Damp=F
 DIIS: error= 3.95D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -466.032502892917     IErMin=11 ErrMin= 3.95D-09
 ErrMax= 3.95D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.05D-14 BMatP= 1.75D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.262D-07 0.660D-05 0.250D-05-0.144D-04-0.396D-04-0.157D-02
 Coeff-Com: -0.375D-02-0.946D-02 0.506D-01 0.330D+00 0.634D+00
 Coeff:     -0.262D-07 0.660D-05 0.250D-05-0.144D-04-0.396D-04-0.157D-02
 Coeff:     -0.375D-02-0.946D-02 0.506D-01 0.330D+00 0.634D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=2.86D-09 MaxDP=2.47D-07 DE=-6.73D-11 OVMax= 3.53D-08

 Error on total polarization charges =  0.00935
 SCF Done:  E(RB3LYP) =  -466.032502893     A.U. after   11 cycles
            NFock= 11  Conv=0.29D-08     -V/T= 2.0061
 KE= 4.632130425951D+02 PE=-2.458019420462D+03 EE= 8.406134108952D+02
 Leave Link  502 at Wed Mar 16 20:06:31 2022, MaxMem=  6442450944 cpu:            2556.6 elap:             320.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.13925155D+03

 Leave Link  801 at Wed Mar 16 20:06:31 2022, MaxMem=  6442450944 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
 NEqPCM:  Using non-equilibrium solvation (IEInf=1, Eps=   2.2280, EpsInf=   2.1319)
 Inv3:  Mode=1 IEnd=     8751792.
 Iteration    1 A*A^-1 deviation from unit magnitude is 4.00D-15 for   1696.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.53D-15 for   1672    854.
 Iteration    1 A^-1*A deviation from unit magnitude is 4.22D-15 for   1696.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.06D-15 for    840    732.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 2.02D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 2.47D-01 7.71D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 5.36D-02 3.25D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 1.02D-02 1.37D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 1.52D-03 5.98D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 6.38D-05 1.79D-03.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 1.19D-06 2.20D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 3.29D-08 3.29D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 5.83D-10 3.65D-06.
      8 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 5.82D-12 3.05D-07.
      1 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 6.08D-14 2.20D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 9.24D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.144099D+03
      2  0.180548D+01  0.137568D+03
      3 -0.710548D+00  0.215675D+01  0.133659D+03
 Isotropic polarizability for W=    0.085645      138.44 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.256182D+02 -0.165320D+02  0.137187D+02
      2  -0.168408D+02  0.725737D+01 -0.778360D+01
      3  -0.877741D+01  0.927467D+01 -0.593509D+01
      4  -0.186211D+02  0.387569D+02 -0.179709D+02
      5   0.103580D+02 -0.182167D+02  0.499000D+02
      6  -0.935858D+01 -0.143550D+02 -0.302007D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.289320D+00 -0.541408D+01  0.238034D+01
      2   0.260006D+01 -0.537476D+01  0.247309D+02
      3   0.599285D+01 -0.198551D+02  0.651408D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.245817D+00 -0.657140D+01  0.122947D+02
      2   0.336074D+01 -0.861230D+01  0.586774D+02
      3  -0.208905D+01 -0.555977D+02  0.885812D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.508208D+00  0.302173D+00 -0.817588D+00
      2   0.302173D+00  0.959306D+00 -0.834008D+00
      3  -0.817588D+00 -0.834008D+00 -0.617510D+00
 OR G Eigenvalues:    -1.2269     0.4028     1.6742  Iso=    -0.2833
 Eigenvectors:
   (1)   0.367000   0.286842   0.884891
   (2)   0.780853  -0.611984  -0.125473
   (3)   0.505549   0.737019  -0.448580
 w=    0.085645 a.u., Optical Rotation Beta=     -0.2833 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      -88.27 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 2.20D+02
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTF NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 GePol: Maximum number of non-zero 1st derivatives   =     217
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.11D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 3.36D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 1.45D-02 3.51D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 8.43D-04 5.72D-03.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 2.47D-05 1.06D-03.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 2.66D-07 8.66D-05.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 1.33D-09 3.23D-06.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 5.11D-12 1.75D-07.
     10 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 1.60D-14 1.04D-08.
      3 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 2.41D-15 6.84D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   223 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 6.07D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 6.07D+03
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTT NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.69D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.144099D+03  0.180548D+01 -0.710548D+00
      2   0.180548D+01  0.137568D+03  0.215675D+01
      3  -0.710548D+00  0.215675D+01  0.133659D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.289320D+00 -0.541408D+01  0.238034D+01
      2   0.260006D+01 -0.537476D+01  0.247309D+02
      3   0.599285D+01 -0.198551D+02  0.651408D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.256182D+02 -0.165320D+02  0.137187D+02
      2  -0.168408D+02  0.725737D+01 -0.778360D+01
      3  -0.877741D+01  0.927467D+01 -0.593509D+01
      4  -0.186211D+02  0.387569D+02 -0.179709D+02
      5   0.103580D+02 -0.182167D+02  0.499000D+02
      6  -0.935858D+01 -0.143550D+02 -0.302007D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.273010D+01  0.232838D+01  0.837862D+01  0.148845D+01  0.361925D+01
      2   0.232838D+01  0.443024D+01  0.649576D+00  0.361925D+01 -0.875374D+01
      3   0.837862D+01  0.649576D+00  0.430568D+01  0.335618D-01 -0.246303D+01
                 6             7             8             9            10 
      1   0.335618D-01  0.103921D+02  0.933800D+00  0.290144D+01 -0.684055D+01
      2  -0.246303D+01  0.933800D+00 -0.216094D+01  0.609016D+01 -0.297332D+01
      3   0.456957D+01  0.290144D+01  0.609016D+01 -0.157489D+01 -0.621911D+01
                11            12            13            14            15 
      1  -0.297332D+01 -0.621911D+01 -0.400882D+01  0.111305D+01  0.300154D+01
      2   0.139233D+01  0.307832D+01  0.111305D+01  0.106629D+01  0.442746D+01
      3   0.307832D+01 -0.101756D+01  0.300154D+01  0.442746D+01 -0.575409D+01
                16            17            18            19            20 
      1  -0.650486D+01  0.293345D+01 -0.303418D+01  0.335098D+01 -0.556401D+00
      2   0.293345D+01  0.317514D+01 -0.409821D+01 -0.556401D+00 -0.212217D+01
      3  -0.303418D+01 -0.409821D+01 -0.263602D+01  0.629573D+01 -0.377686D+01
                21            22            23            24            25 
      1   0.629573D+01  0.112191D+01 -0.372293D+00 -0.559131D+01  0.386537D+01
      2  -0.377686D+01 -0.372293D+00  0.659070D+00 -0.327734D+01 -0.345597D+01
      3  -0.110983D+01 -0.559131D+01 -0.327734D+01  0.347375D+01 -0.308316D+00
                26            27            28            29            30 
      1  -0.345597D+01 -0.308316D+00 -0.554617D+01 -0.357960D+01  0.352742D+01
      2  -0.481252D+01  0.227124D+01 -0.357960D+01  0.556199D+01  0.129955D+01
      3   0.227124D+01  0.377529D+01  0.352742D+01  0.129955D+01 -0.321665D+00
                31            32            33            34            35 
      1  -0.122764D+01  0.429258D+01  0.149302D+01  0.264567D+01  0.139177D+01
      2   0.429258D+01 -0.501206D+01  0.293400D+01  0.139177D+01  0.214747D+01
      3   0.149302D+01  0.293400D+01  0.291344D+01 -0.172270D+00  0.202890D+01
                36            37            38            39            40 
      1  -0.172270D+00  0.128359D+01 -0.197553D+01 -0.605851D+01  0.344378D+00
      2   0.202890D+01 -0.197553D+01 -0.454152D+01 -0.229530D+01 -0.645667D+01
      3  -0.378288D+01 -0.605851D+01 -0.229530D+01 -0.245403D+01 -0.276960D+01
                41            42            43            44            45 
      1  -0.645667D+01 -0.276960D+01 -0.477055D+01 -0.240302D+01 -0.275777D+01
      2   0.716166D+01 -0.226047D+01 -0.240302D+01 -0.263147D-01 -0.530904D+01
      3  -0.226047D+01 -0.365838D+01 -0.275777D+01 -0.530904D+01  0.270281D+01
                46            47            48            49            50 
      1   0.108109D+02  0.468796D+01  0.352562D+00  0.423666D+01 -0.145407D+01
      2   0.468796D+01 -0.602831D+01 -0.490061D+01 -0.145407D+01 -0.132439D+01
      3   0.352562D+00 -0.490061D+01 -0.363760D+01 -0.272928D+01 -0.153327D+01
                51            52            53            54            55 
      1  -0.272928D+01  0.449624D+00 -0.193826D+01  0.308355D+00 -0.206644D+01
      2  -0.153327D+01 -0.193826D+01 -0.689640D+00  0.694747D+00 -0.171497D+01
      3   0.279434D+00  0.308355D+00  0.694747D+00  0.265127D+01  0.174863D+01
                56            57            58            59            60 
      1  -0.171497D+01  0.174863D+01 -0.223766D+01  0.533536D+01  0.155990D+01
      2   0.669351D+01  0.206294D+01  0.533536D+01 -0.415111D+01  0.186653D+01
      3   0.206294D+01  0.203186D+01  0.155990D+01  0.186653D+01  0.275051D+01
                61            62            63            64            65 
      1   0.575558D+00 -0.623786D+00  0.174110D+01  0.193563D+01  0.306800D+01
      2  -0.623786D+00  0.247503D+01  0.939733D+00  0.306800D+01 -0.338810D+00
      3   0.174110D+01  0.939733D+00 -0.789404D+01  0.688396D+01 -0.181852D+01
                66            67            68            69            70 
      1   0.688396D+01  0.197946D+01 -0.962869D+00 -0.189039D+01  0.567914D+01
      2  -0.181852D+01 -0.962869D+00 -0.161605D+00 -0.429164D+01 -0.208070D+01
      3   0.141090D+01 -0.189039D+01 -0.429164D+01  0.340912D+01  0.143822D+01
                71            72            73            74            75 
      1  -0.208070D+01  0.143822D+01 -0.205655D+02 -0.426292D+01  0.146716D+01
      2  -0.441356D+01  0.445878D+01 -0.426292D+01 -0.712908D+00  0.165696D+01
      3   0.445878D+01  0.123150D+01  0.146716D+01  0.165696D+01 -0.649443D+00
                76            77            78            79            80 
      1  -0.457214D+01 -0.445406D+01  0.860236D+00  0.384846D+00  0.304918D+00
      2  -0.445406D+01 -0.251167D+01  0.106361D+01  0.304918D+00  0.187820D+00
      3   0.860236D+00  0.106361D+01 -0.357283D+00 -0.388690D+01 -0.113825D+01
                81            82            83            84            85 
      1  -0.388690D+01 -0.169170D+01 -0.256296D+01 -0.616323D+01 -0.340640D+01
      2  -0.113825D+01 -0.256296D+01 -0.204062D+01 -0.530926D+00 -0.351786D+01
      3  -0.176847D+00 -0.616323D+01 -0.530926D+00 -0.248142D+01 -0.600030D+00
                86            87            88            89            90 
      1  -0.351786D+01 -0.600030D+00 -0.747875D+01 -0.605537D+00 -0.354511D+01
      2   0.800133D+01  0.263606D+01 -0.605537D+00  0.232245D+01 -0.391037D+01
      3   0.263606D+01 -0.418611D+01 -0.354511D+01 -0.391037D+01  0.357891D+01
                91            92            93            94            95 
      1   0.266224D+01 -0.693027D+00 -0.724854D+01 -0.139454D+01 -0.259064D+01
      2  -0.693027D+00 -0.234318D+01 -0.930329D+00 -0.259064D+01  0.815813D+01
      3  -0.724854D+01 -0.930329D+00 -0.241215D+01 -0.124641D+01  0.155860D+01
                96            97            98            99           100 
      1  -0.124641D+01 -0.637320D+01 -0.127747D+01 -0.241995D+01  0.309420D+01
      2   0.155860D+01 -0.127747D+01  0.296933D+01 -0.399148D+01 -0.525157D+00
      3  -0.479445D+01 -0.241995D+01 -0.399148D+01 -0.523512D+00 -0.324897D+01
               101           102           103           104           105 
      1  -0.525157D+00 -0.324897D+01 -0.144179D+01  0.890302D+00  0.197238D+01
      2   0.156709D+01  0.104057D+01  0.890302D+00 -0.142096D+01 -0.123944D+01
      3   0.104057D+01  0.456322D+01  0.197238D+01 -0.123944D+01 -0.358644D+01
               106           107           108           109           110 
      1  -0.245575D+01  0.684226D+00  0.294872D+01 -0.602470D+01  0.133158D+01
      2   0.684226D+00 -0.104585D+01 -0.144263D+01  0.133158D+01 -0.172613D+01
      3   0.294872D+01 -0.144263D+01 -0.845205D+01 -0.478735D+01  0.170955D+01
               111           112           113           114           115 
      1  -0.478735D+01  0.112534D+01 -0.113126D+01  0.119224D+01 -0.266498D+01
      2   0.170955D+01 -0.113126D+01  0.119361D+01 -0.108389D+01  0.100875D+01
      3  -0.488827D+01  0.119224D+01 -0.108389D+01  0.102787D+01 -0.266509D+01
               116           117           118           119           120 
      1   0.100875D+01 -0.266509D+01 -0.120760D+01  0.270431D+01 -0.859816D+00
      2  -0.698356D+00  0.845579D+00  0.270431D+01 -0.518693D+01  0.916403D+00
      3   0.845579D+00 -0.483400D+01 -0.859816D+00  0.916403D+00 -0.108927D+01
               121           122           123           124           125 
      1   0.192413D+01 -0.258992D+01  0.348363D+00 -0.424912D+00 -0.912629D-02
      2  -0.258992D+01  0.113373D+02 -0.222692D+01 -0.912629D-02 -0.102365D+01
      3   0.348363D+00 -0.222692D+01  0.153325D+01 -0.472319D+00  0.121929D+01
               126           127           128           129           130 
      1  -0.472319D+00  0.876432D+01  0.367458D+01 -0.294998D+01  0.190979D+01
      2   0.121929D+01  0.367458D+01  0.303090D+01 -0.157361D+01  0.171989D+01
      3  -0.419118D+00 -0.294998D+01 -0.157361D+01  0.258636D+01 -0.920710D+00
               131           132           133           134           135 
      1   0.171989D+01 -0.920710D+00 -0.253931D+01 -0.120761D+01  0.194898D+01
      2   0.235073D+01 -0.106739D+01 -0.120761D+01 -0.132601D+01  0.862449D+00
      3  -0.106739D+01  0.469542D+00  0.194898D+01  0.862449D+00 -0.161650D+01
               136           137           138           139           140 
      1  -0.118084D+00  0.215230D+00  0.155238D+01 -0.448217D+00 -0.489882D+00
      2   0.215230D+00 -0.854964D+00 -0.583081D+00 -0.489882D+00  0.388113D+00
      3   0.155238D+01 -0.583081D+00 -0.179198D+01  0.278727D+00  0.981109D+00
               141           142           143           144           145 
      1   0.278727D+00  0.212077D+01 -0.156030D+00 -0.190282D+01 -0.358646D+01
      2   0.981109D+00 -0.156030D+00  0.177930D+01  0.125972D+01  0.352843D+01
      3  -0.138092D+01 -0.190282D+01  0.125972D+01  0.121091D+02  0.311563D+00
               146           147           148           149           150 
      1   0.352843D+01  0.311563D+00  0.370786D+01 -0.405374D+01 -0.575090D+00
      2  -0.488064D+01 -0.101652D+01 -0.405374D+01  0.948610D+01  0.535218D+00
      3  -0.101652D+01 -0.106850D+01 -0.575090D+00  0.535218D+00  0.123484D+01
               151           152           153           154           155 
      1  -0.115265D+01  0.886646D+00 -0.480208D+00  0.517571D+01  0.340434D+01
      2   0.886646D+00 -0.166690D+01  0.112961D+01  0.340434D+01  0.358246D+01
      3  -0.480208D+00  0.112961D+01  0.844038D+00  0.363723D+01  0.213394D+01
               156           157           158           159           160 
      1   0.363723D+01  0.201468D+01  0.296856D+01  0.134237D+01  0.342833D+01
      2   0.213394D+01  0.296856D+01  0.377360D+01  0.249366D+01  0.207680D+01
      3   0.329835D+01  0.134237D+01  0.249366D+01  0.251939D+01  0.319347D+01
               161           162           163           164           165 
      1   0.207680D+01  0.319347D+01 -0.627352D+01 -0.222345D+01 -0.439150D+01
      2   0.282651D+01  0.337180D+01 -0.222345D+01 -0.259918D+01 -0.147038D+01
      3   0.337180D+01  0.468449D+01 -0.439150D+01 -0.147038D+01 -0.415084D+01
               166           167           168           169           170 
      1  -0.621401D+00 -0.107844D+01 -0.207097D+00 -0.393948D+01 -0.987137D+00
      2  -0.107844D+01 -0.422594D+00 -0.409462D+00 -0.987137D+00 -0.108196D+01
      3  -0.207097D+00 -0.409462D+00 -0.434582D+00 -0.326641D+01 -0.196012D+01
               171           172           173           174           175 
      1  -0.326641D+01 -0.848455D+00 -0.141865D+01 -0.290016D-01 -0.118276D+01
      2  -0.196012D+01 -0.141865D+01 -0.125185D+01  0.628392D+00 -0.106084D+01
      3  -0.443528D+01 -0.290016D-01  0.628392D+00 -0.593556D+00  0.497569D+00
               176           177           178           179           180 
      1  -0.106084D+01  0.497569D+00  0.767400D+00  0.110313D+01 -0.482409D+00
      2  -0.711344D+01  0.289938D+01  0.110313D+01  0.566112D+01 -0.276838D+01
      3   0.289938D+01 -0.238457D+01 -0.482409D+00 -0.276838D+01  0.357147D+01
               181           182           183           184           185 
      1   0.414329D+01 -0.219881D+01 -0.298773D+01 -0.139272D+01  0.172967D+01
      2  -0.219881D+01  0.344508D+01  0.218426D+01  0.172967D+01 -0.227357D+01
      3  -0.298773D+01  0.218426D+01  0.311837D+01  0.119747D+01 -0.104891D+01
               186           187           188           189           190 
      1   0.119747D+01 -0.277039D+01  0.143562D+01  0.193727D+01  0.107338D+01
      2  -0.104891D+01  0.143562D+01 -0.194236D+01 -0.257882D+01  0.101263D+01
      3  -0.153248D+01  0.193727D+01 -0.257882D+01 -0.395383D+01 -0.106977D+01
               191           192           193           194           195 
      1   0.101263D+01 -0.106977D+01  0.207697D+01  0.559275D+00 -0.620093D+00
      2   0.398544D+00 -0.303498D+00  0.559275D+00  0.112007D+01 -0.180127D+01
      3  -0.303498D+00  0.162912D+01 -0.620093D+00 -0.180127D+01  0.260133D+01
               196           197           198           199           200 
      1  -0.255592D+01 -0.210857D+00  0.252973D+01  0.146826D+01 -0.141590D+01
      2  -0.210857D+00 -0.218927D+01  0.218771D+01 -0.141590D+01  0.151407D+01
      3   0.252973D+01  0.218771D+01 -0.679150D+01  0.987529D-01  0.322359D+00
               201           202           203           204           205 
      1   0.987529D-01 -0.352915D+01  0.371132D+01  0.773152D+00  0.180895D+00
      2   0.322359D+00  0.371132D+01 -0.983799D+01 -0.163384D+01  0.474065D+00
      3   0.467644D+00  0.773152D+00 -0.163384D+01 -0.136812D+01  0.937207D+00
               206           207           208           209           210 
      1   0.474065D+00  0.937207D+00  0.918780D+01  0.125736D+01  0.345410D+01
      2  -0.134553D+01 -0.967106D+00  0.125736D+01  0.131689D+01  0.397931D+00
      3  -0.967106D+00 -0.955878D+00  0.345410D+01  0.397931D+00  0.228988D+01
               211           212           213           214           215 
      1   0.333313D+01  0.186372D+01  0.102623D+01  0.680490D+01  0.602067D+00
      2   0.186372D+01  0.221272D+00  0.476187D+00  0.602067D+00  0.968936D+00
      3   0.102623D+01  0.476187D+00  0.128805D+01  0.336386D+01  0.870406D+00
               216           217           218           219           220 
      1   0.336386D+01 -0.617825D+01 -0.402291D-02  0.315807D+01  0.277677D+00
      2   0.870406D+00 -0.402291D-02 -0.162620D+01  0.118351D+01 -0.809950D+00
      3   0.276566D+01  0.315807D+01  0.118351D+01 -0.379783D+01  0.436399D+00
               221           222           223           224           225 
      1  -0.809950D+00  0.436399D+00  0.270641D+01  0.462067D+00 -0.205071D+01
      2  -0.696614D+00  0.326124D+00  0.462067D+00  0.458501D+00 -0.143433D+00
      3   0.326124D+00  0.378157D+00 -0.205071D+01 -0.143433D+00  0.347041D+01
               226           227           228           229           230 
      1   0.456351D+01  0.307676D+00  0.438815D+01  0.163595D+01  0.107488D+01
      2   0.307676D+00  0.142579D+01  0.111359D+00  0.107488D+01  0.877280D-01
      3   0.438815D+01  0.111359D+00  0.513781D+01  0.138509D+01  0.806581D+00
               231           232           233           234           235 
      1   0.138509D+01  0.347687D+01  0.302811D+00  0.389425D+01  0.703512D+00
      2   0.806581D+00  0.302811D+00  0.695496D+00  0.626521D+00 -0.141575D+01
      3   0.277011D+01  0.389425D+01  0.626521D+00  0.702362D+01  0.759171D+00
               236           237           238           239           240 
      1  -0.141575D+01  0.759171D+00 -0.171316D+01  0.214465D+01 -0.248235D+00
      2   0.189452D+01 -0.175997D+00  0.214465D+01 -0.113253D+02  0.133235D+01
      3  -0.175997D+00  0.624782D+00 -0.248235D+00  0.133235D+01 -0.178091D+01
               241           242           243 
      1   0.152929D+00  0.355383D+00  0.301856D+00
      2   0.355383D+00 -0.124424D+01 -0.548818D+00
      3   0.301856D+00 -0.548818D+00 -0.362233D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.231654D+01  0.146984D+01  0.232878D+01  0.328157D+01 -0.782525D+01
      2   0.130422D+02 -0.165091D+00  0.419734D+01  0.237054D+01 -0.581527D+01
      3   0.104374D+01 -0.845694D+01 -0.308246D+01  0.167878D+00  0.992674D+01
                 6             7             8             9            10 
      1  -0.394226D+01  0.591012D+01  0.428875D+01  0.256597D+01 -0.548680D+01
      2   0.399240D+01 -0.301007D+01  0.446864D+01 -0.373634D+01 -0.352296D+01
      3   0.390469D+01 -0.329952D+01  0.400146D+01 -0.488478D+01 -0.249936D+01
                11            12            13            14            15 
      1  -0.310084D+01  0.753966D+00  0.194616D+01  0.537621D+01 -0.145106D+02
      2  -0.433098D+01  0.151685D+01 -0.446011D+01 -0.359990D+00  0.176870D+01
      3  -0.293040D+01  0.541916D+01  0.913934D+01  0.293303D+00  0.135421D+01
                16            17            18            19            20 
      1  -0.784182D+01 -0.993515D+00 -0.256104D+01  0.575264D+01  0.558522D+01
      2  -0.809481D+01  0.507514D+01 -0.700447D+01  0.677040D+01 -0.158384D+01
      3   0.459840D+01  0.353055D+01  0.254532D-02 -0.434426D+00 -0.547046D+01
                21            22            23            24            25 
      1   0.547334D+01 -0.123869D+01  0.253650D+01  0.804659D+01  0.638947D+01
      2   0.143882D+02 -0.103128D+01 -0.111869D+01 -0.103833D+02  0.500465D+01
      3   0.627774D+00  0.597381D-01 -0.165249D+00 -0.194866D+01  0.117746D+01
                26            27            28            29            30 
      1   0.129740D+02 -0.155996D+01 -0.680370D+01 -0.846804D+01 -0.138739D+01
      2  -0.965609D+01  0.108081D+01 -0.252482D+01 -0.235675D+01  0.615156D+01
      3  -0.220307D+01  0.617287D+00 -0.109142D+02 -0.158480D+02  0.781494D+01
                31            32            33            34            35 
      1  -0.747651D+01 -0.344416D+01 -0.138440D+02 -0.420332D+00 -0.694631D+01
      2  -0.320232D+00  0.629203D+01  0.406954D+01  0.891020D+00  0.300584D+01
      3  -0.445284D+01  0.155084D+02  0.693736D+00  0.666340D+01  0.216471D+01
                36            37            38            39            40 
      1   0.832161D+01  0.526882D+01  0.113816D+01  0.575145D+00  0.235580D+00
      2  -0.534827D+01 -0.780858D+01 -0.147562D+01  0.498994D+01 -0.187046D+01
      3  -0.209158D+01  0.706431D+01 -0.279174D+01 -0.518085D+01  0.730494D+01
                41            42            43            44            45 
      1   0.725942D+01  0.193894D+01 -0.108912D+01  0.104794D+02 -0.102318D+02
      2   0.241775D+01 -0.156158D+01 -0.286074D+01 -0.130254D+01  0.405509D+01
      3  -0.128163D+02 -0.196609D+01 -0.427511D+01 -0.256037D+01 -0.823982D-01
                46            47            48            49            50 
      1   0.407234D+01  0.186510D+01  0.553570D+01  0.435168D+01 -0.155385D+02
      2  -0.377789D+01  0.907375D+01 -0.320476D+01  0.768607D+01 -0.314025D+01
      3   0.519321D+00  0.180024D+01 -0.864250D+01  0.579088D+01  0.232094D+01
                51            52            53            54            55 
      1  -0.130178D+01  0.207645D+01  0.118666D+02  0.160386D+02 -0.670260D+01
      2  -0.782456D+00 -0.118730D+02  0.135653D+01  0.653269D+01  0.363479D+01
      3  -0.335792D+01 -0.894862D+01 -0.356151D+01  0.478143D+00 -0.714775D+01
                56            57            58            59            60 
      1   0.762768D+01 -0.232885D+01  0.620757D+01 -0.724817D+01 -0.789256D+01
      2   0.117178D+01 -0.514026D+01  0.127519D+01 -0.847365D+01 -0.276909D+01
      3   0.448814D+01  0.672478D+01  0.786758D+01  0.236348D+01  0.146018D+01
                61            62            63            64            65 
      1  -0.856037D+00  0.644707D+01  0.155822D+02  0.872396D+01 -0.199631D+01
      2  -0.100831D+02  0.286002D+00  0.948204D+01 -0.293514D+01  0.600066D+01
      3   0.474065D+01 -0.469462D+00  0.355239D+01 -0.177094D+01 -0.115920D+02
                66            67            68            69            70 
      1   0.519550D+01 -0.355992D+01 -0.942743D+01  0.106107D+02  0.445580D+01
      2   0.992423D+01  0.337086D+01  0.255633D+01 -0.484876D+01  0.337612D+01
      3  -0.163967D+02 -0.269709D+01  0.176770D+01  0.915409D+00 -0.132661D+02
                71            72            73            74            75 
      1   0.195196D+02 -0.284741D+01 -0.140074D+00 -0.531839D+00 -0.590860D+01
      2  -0.679650D+01  0.103167D+01  0.373684D+01  0.611193D+00  0.161399D+02
      3  -0.224989D+00 -0.486048D+00 -0.398193D+01 -0.173648D+02  0.132721D+00
                76            77            78            79            80 
      1  -0.310304D+01  0.317252D+01 -0.209373D+01  0.105921D+01 -0.137182D+01
      2  -0.227830D+01  0.290605D+01  0.410271D+01  0.498666D+01  0.471478D+00
      3  -0.328579D+01 -0.873685D+01  0.521136D+00  0.106581D+01  0.114753D+01
                81            82            83            84            85 
      1  -0.594177D+01 -0.318220D+01 -0.258176D-02 -0.222226D+01 -0.275861D+00
      2  -0.204546D+01 -0.154397D+02 -0.101703D+01 -0.621346D+01 -0.255518D+01
      3  -0.306532D+01  0.711447D+01  0.539996D+01  0.428229D+01  0.157671D+02
                86            87            88            89            90 
      1   0.105451D+01 -0.569866D+01 -0.531418D+01 -0.733233D+00  0.395773D+01
      2   0.750570D+01 -0.105924D+02 -0.164054D+02 -0.926737D+01  0.114833D+02
      3  -0.196833D+02 -0.794743D+01  0.585584D+01 -0.702063D+01  0.126288D+02
                91            92            93            94            95 
      1  -0.111424D+02 -0.543662D+01 -0.443813D+01 -0.757015D+01  0.205484D+02
      2  -0.138991D+02 -0.873161D+00  0.166148D+02  0.599877D-01  0.613299D+01
      3  -0.393756D+01  0.154153D+00  0.115317D+02  0.579047D+01 -0.571308D+01
                96            97            98            99           100 
      1  -0.690034D+01 -0.484088D+01  0.350773D+01 -0.109837D+02  0.481012D+00
      2  -0.185045D+01  0.824402D+01 -0.237767D+01  0.354600D+01  0.785773D+01
      3   0.212570D-01  0.922004D+01 -0.206427D+01  0.644181D+01  0.124700D+01
               101           102           103           104           105 
      1  -0.582415D+01 -0.269331D+01 -0.371503D+00  0.452860D+01 -0.494656D+00
      2  -0.182790D+01 -0.402001D+01 -0.329609D+01  0.174544D+01  0.232340D+01
      3  -0.172184D+01 -0.117936D+01  0.868344D+00  0.293709D+00  0.241198D+00
               106           107           108           109           110 
      1  -0.205089D+01  0.619556D+01  0.373595D+01 -0.472102D+00  0.456625D+01
      2  -0.723780D+01  0.178462D+01  0.415339D+01 -0.135649D+02  0.186025D+01
      3  -0.405304D+00  0.173826D+01  0.800307D+00 -0.377937D+01 -0.218701D+01
               111           112           113           114           115 
      1  -0.367946D+00  0.118422D+01 -0.208137D+01 -0.581250D+00  0.921178D-01
      2  -0.536632D+01  0.299156D+01 -0.195790D+01  0.234872D+01 -0.667943D+01
      3  -0.209558D+01  0.193928D+01  0.291579D+00  0.748523D+00 -0.195585D+01
               116           117           118           119           120 
      1   0.214776D+01  0.562350D+00 -0.366444D+00  0.383861D+01  0.350045D+01
      2   0.183391D+01 -0.422051D+01 -0.235077D+01  0.282853D+01  0.176684D-01
      3  -0.674887D+00 -0.174336D+01 -0.599358D+01  0.779890D+01 -0.224271D+01
               121           122           123           124           125 
      1   0.225871D+01 -0.657207D+01 -0.534281D+01  0.103180D+01  0.312131D+00
      2   0.260736D+01 -0.421190D+01  0.545538D+00 -0.177111D+01  0.115545D+01
      3   0.953543D+01 -0.124841D+02  0.181750D+01 -0.117201D+01  0.716301D+00
               126           127           128           129           130 
      1  -0.722916D+00  0.351796D+01 -0.104979D+01 -0.575983D+01  0.331865D+00
      2  -0.194422D+00  0.771694D+01  0.181566D+01  0.215638D+01  0.102465D+01
      3  -0.211719D+01  0.181933D+02  0.178454D+01 -0.482338D+01  0.353545D+01
               131           132           133           134           135 
      1   0.690500D+00 -0.109746D+01 -0.313871D+01  0.163572D+01  0.219202D+01
      2   0.725650D+00  0.262980D+00 -0.269590D+01 -0.677172D+00 -0.326230D+00
      3   0.123056D+01 -0.131067D+01 -0.510378D+01 -0.887278D+00  0.368961D+01
               136           137           138           139           140 
      1  -0.149400D+01  0.420071D+00  0.310774D+01  0.388405D+00 -0.163039D+01
      2  -0.155175D+01  0.747232D+00  0.177412D+01  0.596420D+00 -0.173815D+00
      3   0.440308D+00 -0.248180D+01  0.743231D+00  0.238953D-01 -0.162032D+01
               141           142           143           144           145 
      1   0.469022D+01  0.323976D+01  0.169590D+01 -0.214433D+02  0.407417D+01
      2   0.279530D+01 -0.360329D+01 -0.150311D+01 -0.123128D+02  0.407997D+01
      3   0.116167D+01  0.301782D+01  0.237770D+01 -0.307874D+01 -0.142789D+01
               146           147           148           149           150 
      1  -0.818425D+01  0.133133D+00 -0.505725D+01  0.136260D+02 -0.278548D+01
      2  -0.423944D+01  0.273039D+01 -0.471663D+01  0.664781D+01 -0.124486D+01
      3  -0.283804D+01 -0.107606D+01  0.474821D+01  0.534485D+01 -0.419485D+00
               151           152           153           154           155 
      1   0.159178D+01 -0.400922D+01  0.509808D+00 -0.247309D+01  0.140496D+01
      2   0.112254D+01 -0.226929D+01  0.656231D+00 -0.222909D+01 -0.646968D+00
      3  -0.140114D+01 -0.138267D+01  0.362040D+00  0.619563D+01 -0.522907D+00
               156           157           158           159           160 
      1  -0.434188D+01 -0.622024D+00 -0.209393D+00 -0.478782D+01 -0.223140D+01
      2   0.223361D+01 -0.179061D+01 -0.287234D+00  0.166486D+01 -0.250306D+01
      3   0.344939D+01  0.372218D+01  0.788862D+00  0.732180D+00  0.464423D+01
               161           162           163           164           165 
      1   0.351260D+00 -0.481628D+01 -0.542652D+01  0.179881D+01 -0.719207D+01
      2   0.128623D+01  0.266150D+01 -0.646330D+01 -0.121837D+01  0.179086D+00
      3  -0.712041D+00  0.169366D+01  0.130678D+02 -0.288775D+00  0.799421D+01
               166           167           168           169           170 
      1   0.128905D+00 -0.945545D-01 -0.172622D+01 -0.550711D+01 -0.199488D+00
      2  -0.669345D+00 -0.113749D+01  0.746223D-01 -0.454265D+01 -0.101375D+00
      3   0.173637D+01  0.165134D+01  0.736636D+00  0.827897D+01  0.309353D+00
               171           172           173           174           175 
      1  -0.647248D+01  0.148568D+01  0.257788D+01 -0.169108D+01  0.255264D+01
      2  -0.808543D-01 -0.620104D+00 -0.203640D+01  0.133786D+01 -0.723951D+00
      3   0.581104D+01  0.101689D+01  0.101063D+01  0.129243D+00  0.450730D+01
               176           177           178           179           180 
      1   0.137775D+02 -0.120973D+02 -0.149247D+01 -0.111052D+02  0.136724D+02
      2  -0.329619D+01  0.263394D+01 -0.461118D+00  0.328027D+01 -0.392910D+01
      3  -0.240340D+01  0.764920D+00 -0.285830D+01  0.173246D+01 -0.118796D+01
               181           182           183           184           185 
      1  -0.327220D+01 -0.188668D+01  0.462220D+01  0.486506D+00  0.751368D+00
      2   0.887631D+01 -0.362835D+01 -0.336661D+01 -0.268273D+01  0.233864D+01
      3  -0.122220D+02  0.392149D+01  0.698242D+01  0.525852D+01 -0.357250D+01
               186           187           188           189           190 
      1  -0.347569D+01  0.210443D+01 -0.465835D+00 -0.463561D+01 -0.113273D+01
      2   0.154383D+01 -0.625050D+01  0.291507D+01  0.338480D+01 -0.223119D+01
      3  -0.286699D+01  0.728029D+01 -0.252928D+01 -0.509300D+01 -0.269154D+01
               191           192           193           194           195 
      1  -0.709050D+00  0.670562D+00 -0.713531D-01 -0.277853D+01  0.160679D+01
      2  -0.262574D+00  0.411110D+01  0.569028D+00 -0.534456D+01  0.824724D+01
      3  -0.204937D+01  0.152323D+01 -0.391545D+00 -0.510842D+01  0.590612D+01
               196           197           198           199           200 
      1   0.106530D+01  0.539195D+01 -0.445608D+01  0.387287D+00 -0.621189D+00
      2   0.126250D+01  0.720500D+01 -0.194262D+02  0.372004D+00  0.323245D+00
      3   0.731755D+00  0.779172D+01 -0.780434D+01  0.289947D+01 -0.418932D+01
               201           202           203           204           205 
      1   0.666117D+00  0.795999D-01  0.163370D+01 -0.402505D+01  0.426135D+00
      2   0.206614D+01  0.951021D+00 -0.422405D+01 -0.490194D+01  0.106775D+01
      3  -0.809959D+00 -0.293637D+01  0.249941D+02  0.397622D+01 -0.866254D+00
               206           207           208           209           210 
      1   0.857744D+00 -0.862027D+00  0.225984D+01  0.114092D+01  0.105392D+01
      2  -0.209714D+01 -0.257753D+01  0.956482D+01  0.193212D+01  0.102090D+02
      3   0.400265D+01  0.189662D+01 -0.812393D+01 -0.717392D+01 -0.341337D+01
               211           212           213           214           215 
      1   0.980363D+00  0.829707D+00 -0.294807D+00  0.260964D+01  0.201017D+01
      2   0.272013D+01  0.126200D+01  0.435676D+01  0.695506D+01  0.245354D+01
      3  -0.471390D+01 -0.221720D+01 -0.158976D+01 -0.498977D+01 -0.449470D+01
               216           217           218           219           220 
      1   0.102328D+01  0.533458D+01 -0.401647D+01 -0.274101D+01 -0.195325D+01
      2   0.899996D+01  0.187903D+02 -0.572808D+00 -0.646455D+01 -0.842538D+00
      3  -0.422519D+01  0.984321D+01 -0.211536D+01 -0.437957D+01  0.619278D+00
               221           222           223           224           225 
      1  -0.785179D-01  0.151495D+00 -0.234056D+01  0.221285D+01  0.354667D+01
      2   0.237620D+01 -0.412840D+00 -0.938378D+01 -0.626871D+00  0.539974D+01
      3   0.149488D+01 -0.829191D+00 -0.415929D+01  0.318772D+00  0.265509D+01
               226           227           228           229           230 
      1   0.608081D+01  0.494929D+01  0.629044D+01  0.345075D+01  0.186712D+01
      2  -0.586022D+01 -0.109047D+01 -0.703162D+00 -0.242838D+01 -0.998014D+00
      3  -0.490112D+01 -0.397197D+01 -0.472559D+01 -0.170767D+01 -0.162521D+01
               231           232           233           234           235 
      1   0.347710D+01  0.524308D+01  0.501324D+01  0.938442D+01 -0.166081D+01
      2   0.671533D+00 -0.678429D+01 -0.437396D-01  0.126733D+00 -0.213801D-01
      3  -0.209453D+01 -0.454164D+01 -0.240233D+01 -0.511853D+01  0.275078D+00
               236           237           238           239           240 
      1   0.344503D+01  0.116535D+01  0.379360D+01 -0.218033D+02 -0.446000D+01
      2   0.204091D+01  0.571628D+00  0.344303D+01 -0.236760D+01 -0.205443D+01
      3  -0.114863D+01 -0.389403D+00  0.385983D+01  0.877891D+01 -0.978723D+00
               241           242           243 
      1   0.733476D+00 -0.229759D+01 -0.247633D+01
      2  -0.727148D+00 -0.762274D+00 -0.103783D+01
      3  -0.319310D-01  0.135602D+01  0.349047D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.149094D+02  0.508093D+01  0.194159D+02  0.687593D+01  0.103039D+02
      2  -0.258507D+00 -0.374282D+01 -0.120415D+02 -0.552123D+01 -0.210353D+01
      3   0.151679D+02 -0.133812D+01 -0.737439D+01 -0.135470D+01 -0.820035D+01
      4  -0.674102D-01  0.553375D+01 -0.654420D+01  0.719314D+01 -0.160722D+02
      5   0.172206D+02 -0.131337D+01  0.997191D+01  0.141495D+01  0.509163D+00
      6  -0.999750D+01  0.288447D+01 -0.160816D+01  0.421549D+01 -0.644368D+01
                 6             7             8             9            10 
      1  -0.567678D+01  0.238122D+02 -0.356353D+01  0.128031D+02  0.233752D+01
      2  -0.486044D+01 -0.126940D+02 -0.231109D+01 -0.560452D+01 -0.165588D+01
      3   0.105372D+02 -0.111182D+02  0.587461D+01 -0.719854D+01 -0.681634D+00
      4  -0.710674D+00 -0.552138D+01  0.612584D-01  0.295100D+01  0.776925D+01
      5   0.809302D+01  0.128354D+02  0.702903D+01 -0.231328D+01 -0.358132D+01
      6  -0.525442D+01 -0.204729D+01 -0.590573D+01  0.403654D+01  0.920401D+01
                11            12            13            14            15 
      1   0.611647D+01  0.132857D+01  0.101397D+02 -0.665565D+00 -0.175394D+02
      2  -0.233659D+01  0.543478D+01  0.366233D+00  0.923203D+01 -0.425625D+01
      3  -0.377988D+01 -0.676335D+01 -0.105060D+02 -0.856646D+01  0.217957D+02
      4   0.360025D+01  0.371422D+01  0.236106D+00  0.245708D+01 -0.179244D+01
      5  -0.258251D+01  0.520362D+01 -0.322849D+01 -0.256610D+01 -0.547453D+01
      6  -0.204889D+01  0.144043D+01 -0.516519D+00  0.391831D+01 -0.535084D+01
                16            17            18            19            20 
      1  -0.203546D+02 -0.886327D+01 -0.201443D+01  0.875153D+01 -0.332901D+01
      2   0.781656D+01 -0.437901D+01  0.343420D+00  0.160577D+02 -0.146155D+02
      3   0.125380D+02  0.132423D+02  0.167101D+01 -0.248093D+02  0.179445D+02
      4   0.837258D+01 -0.595561D+01  0.324180D+01  0.537594D+01 -0.352537D+01
      5   0.232185D+01 -0.300368D+00 -0.160852D+00 -0.125125D+02  0.379734D+01
      6  -0.163290D+00  0.304067D+00  0.138493D+02  0.556508D+01 -0.816717D+00
                21            22            23            24            25 
      1  -0.118747D+02 -0.154120D+02 -0.760604D+01  0.185730D+02 -0.235378D+01
      2  -0.604049D+01 -0.915233D+01 -0.798847D+01  0.105263D+01 -0.779792D+01
      3   0.179152D+02  0.245643D+02  0.155945D+02 -0.196256D+02  0.101517D+02
      4   0.413002D+01 -0.344657D+01 -0.436351D+01 -0.261296D+01  0.194380D+01
      5  -0.275527D+02  0.769595D+01  0.350816D+01  0.144235D+02 -0.190024D+02
      6   0.125938D+02 -0.370648D+01 -0.519969D+01  0.789456D+01  0.996298D+01
                26            27            28            29            30 
      1   0.854538D+01  0.471059D+01 -0.632336D+01 -0.198604D+02  0.780430D+01
      2   0.151126D+01  0.165648D+02 -0.870674D+01  0.318241D+02  0.149581D+01
      3  -0.100566D+02 -0.212754D+02  0.150301D+02 -0.119636D+02 -0.930011D+01
      4  -0.229189D+01  0.489051D+01 -0.238481D+02 -0.161015D+02  0.163191D+02
      5   0.101979D+02  0.449031D+01  0.152880D+02  0.103312D+02 -0.355113D+01
      6   0.600020D+01 -0.633414D+01  0.197680D+02 -0.173404D+01 -0.672212D+01
                31            32            33            34            35 
      1  -0.125608D+02  0.202467D+02 -0.877750D-01  0.628899D+01  0.156900D+01
      2   0.220587D+02 -0.298929D+02  0.121216D+02  0.541357D+00  0.926250D+01
      3  -0.949788D+01  0.964627D+01 -0.120338D+02 -0.683034D+01 -0.108315D+02
      4  -0.498234D+01  0.156499D+02  0.274130D+01  0.133567D+02  0.394973D+01
      5   0.368628D+01 -0.431762D+01  0.157421D+00 -0.600193D+01  0.644166D+00
      6  -0.183125D+01  0.117586D+02  0.215317D+01 -0.423031D+01  0.275672D+01
                36            37            38            39            40 
      1  -0.981827D+01  0.120305D+00  0.415264D+01 -0.104736D+01  0.367652D+01
      2   0.767035D+01  0.255538D+01 -0.110607D+02 -0.412763D+01 -0.757121D+01
      3   0.214792D+01 -0.267568D+01  0.690809D+01  0.517499D+01  0.389470D+01
      4   0.341122D+01  0.606122D+00 -0.100394D+02 -0.155149D+02 -0.901082D+01
      5  -0.170934D+01 -0.744092D+01 -0.113189D+02 -0.128461D+02 -0.596348D+01
      6  -0.120841D+02 -0.167876D+02 -0.141764D+02 -0.448558D+01 -0.107549D+02
                41            42            43            44            45 
      1  -0.106824D+02 -0.513376D+00 -0.377835D+01 -0.122546D+01  0.379136D+01
      2   0.143870D+02 -0.142138D+01  0.902559D+00 -0.533159D+00 -0.103855D+02
      3  -0.370460D+01  0.193476D+01  0.287579D+01  0.175862D+01  0.659417D+01
      4  -0.400532D+01 -0.710074D+01 -0.117892D+02 -0.639695D+01 -0.154203D+02
      5  -0.725716D+01 -0.945996D+01 -0.105579D+02 -0.126185D+02 -0.786955D+01
      6   0.760743D+00 -0.113078D+02 -0.873596D+01 -0.151607D+02  0.290301D+01
                46            47            48            49            50 
      1  -0.727101D+02 -0.933938D+01  0.448892D+01 -0.245655D+02  0.245233D+01
      2   0.346430D+02 -0.276413D+01 -0.488114D+01  0.113641D+02 -0.592223D+01
      3   0.380670D+02  0.121035D+02  0.392225D+00  0.132015D+02  0.346990D+01
      4  -0.191473D+02 -0.126861D+02  0.359830D+01 -0.108021D+01 -0.583116D+01
      5   0.707425D+01  0.620035D+01 -0.129355D+02  0.393851D+01  0.659396D+00
      6   0.813683D+00  0.141950D+01 -0.806526D+01  0.393035D+01 -0.676516D+01
                51            52            53            54            55 
      1   0.169436D+02  0.189651D+01  0.137695D+02  0.317916D-01  0.339345D+01
      2  -0.352761D+00  0.204735D+01 -0.817297D+01 -0.216748D+01 -0.926502D+01
      3  -0.165908D+02 -0.394386D+01 -0.559649D+01  0.213569D+01  0.587157D+01
      4   0.263352D+01 -0.955773D+00  0.542331D+01 -0.365818D+01  0.387800D+01
      5  -0.686860D+01  0.462887D+01 -0.126263D+01 -0.736655D-01 -0.211363D+01
      6  -0.499780D+01 -0.605056D+00 -0.223088D+00 -0.849193D+01  0.513676D+01
                56            57            58            59            60 
      1  -0.902688D+01 -0.884738D+01  0.226956D+01 -0.224718D+01 -0.114050D+02
      2   0.217986D+02  0.229658D+01  0.121275D+02 -0.154703D+02 -0.865971D+00
      3  -0.127717D+02  0.655081D+01 -0.143971D+02  0.177175D+02  0.122710D+02
      4  -0.184200D+02  0.146082D+00 -0.108994D+02  0.236748D+02 -0.152059D+01
      5  -0.235672D+01 -0.718298D+00  0.231554D-01  0.417223D+01 -0.494755D-01
      6   0.125980D+02  0.428547D+01  0.506156D+01  0.160705D+01  0.116643D+02
                61            62            63            64            65 
      1   0.327058D+01 -0.373585D+01  0.140401D+02  0.810438D+01 -0.718384D+01
      2  -0.748196D+01  0.108970D+02  0.206961D+02  0.515483D+01  0.310815D+01
      3   0.421138D+01 -0.716114D+01 -0.347362D+02 -0.132592D+02  0.407569D+01
      4   0.444096D+01 -0.444632D+01  0.855147D+01 -0.615147D+01 -0.127848D+02
      5   0.107245D+01  0.141719D+01  0.185250D+02 -0.113484D+02 -0.109566D+02
      6   0.202454D+01  0.715883D+01 -0.119589D+02 -0.281537D+02  0.983791D+01
                66            67            68            69            70 
      1  -0.125131D+02 -0.735779D+01 -0.136689D+01 -0.297545D+01 -0.106902D+02
      2   0.156168D+02  0.164458D+01 -0.832521D+01  0.236860D+02  0.144567D+02
      3  -0.310374D+01  0.571321D+01  0.969210D+01 -0.207106D+02 -0.376652D+01
      4  -0.252732D+02 -0.101923D+02  0.144802D+01  0.117498D+02 -0.228917D+02
      5  -0.240559D+02 -0.649658D+01  0.944454D+01  0.341416D+00 -0.209177D+02
      6  -0.144159D+01  0.957921D+01  0.179978D+02 -0.927361D+01 -0.109972D+01
                71            72            73            74            75 
      1  -0.745257D+01  0.450453D+01  0.133757D+03  0.179821D+02 -0.506522D+01
      2   0.279980D+02 -0.981878D+01 -0.644426D+02 -0.419844D+01  0.362656D+01
      3  -0.205454D+02  0.531425D+01 -0.693142D+02 -0.137837D+02  0.143866D+01
      4   0.126537D+02 -0.675602D+01  0.246502D+02  0.285247D+02 -0.219971D+01
      5  -0.139058D+01 -0.259471D+01 -0.978336D+01 -0.320227D+01  0.257051D+02
      6  -0.137848D+02 -0.908702D+01 -0.610540D+01 -0.356767D+01  0.522994D+01
                76            77            78            79            80 
      1   0.219016D+02  0.163075D+02 -0.422829D+01  0.284936D+01 -0.320870D+01
      2  -0.936232D+01 -0.710851D+00  0.201740D+01  0.184454D+01  0.139665D+01
      3  -0.125393D+02 -0.155966D+02  0.221089D+01 -0.469389D+01  0.181205D+01
      4   0.310659D+02  0.167212D+02 -0.400501D+01 -0.431193D+01 -0.276544D+01
      5  -0.629437D+01 -0.476804D+01  0.751412D+01  0.258511D+02  0.596415D+01
      6  -0.445333D+01 -0.262089D+01  0.750526D+01  0.327422D+01  0.579074D+01
                81            82            83            84            85 
      1   0.122901D+02 -0.651049D+01 -0.158655D+02 -0.335538D+02 -0.233458D+02
      2  -0.125513D+02  0.655305D+01  0.118542D+02  0.173403D+02  0.196037D+02
      3   0.261188D+00 -0.425605D-01  0.401137D+01  0.162135D+02  0.374203D+01
      4   0.505065D+01 -0.140886D+02 -0.935547D+01  0.130111D+01 -0.148359D+02
      5  -0.572220D+01 -0.336131D+02 -0.180128D+01 -0.149710D+02 -0.601908D+01
      6  -0.821153D+00  0.572420D+01  0.143624D+01  0.115787D+01  0.195390D+01
                86            87            88            89            90 
      1  -0.225627D+01 -0.795710D+00 -0.401746D+02 -0.105814D+01 -0.188216D+02
      2  -0.130110D+02 -0.335191D+01  0.203889D+02 -0.382576D+01  0.150532D+02
      3   0.152672D+02  0.414762D+01  0.197857D+02  0.488390D+01  0.376839D+01
      4   0.370668D+02  0.997576D+01 -0.177982D+01  0.917498D+01 -0.134718D+02
      5   0.990072D+01 -0.169187D+02 -0.217479D+02 -0.156500D+02  0.133367D+02
      6  -0.752768D+01  0.193766D+01  0.120638D+01  0.211955D+01 -0.175212D+01
                91            92            93            94            95 
      1   0.152192D+02 -0.272764D+01 -0.133275D+02 -0.547972D+01  0.527373D+01
      2   0.151098D+02  0.114280D+02  0.182530D+02  0.153079D+02 -0.330508D+02
      3  -0.303291D+02 -0.870040D+01 -0.492557D+01 -0.982823D+01  0.277771D+02
      4  -0.772222D+01 -0.295037D+01  0.917087D+01 -0.375064D+01  0.206075D+02
      5  -0.554051D+01 -0.327772D+01 -0.307989D+02 -0.671329D+01 -0.401443D+01
      6   0.688666D+01 -0.344002D+01 -0.513814D+01 -0.570350D+01  0.169441D+02
                96            97            98            99           100 
      1   0.695767D+01 -0.115177D+02  0.836920D+01 -0.121543D+02 -0.240318D+01
      2   0.993192D+01  0.181301D+02  0.152134D+01  0.186786D+02 -0.120294D+02
      3  -0.168896D+02 -0.661233D+01 -0.989054D+01 -0.652432D+01  0.144326D+02
      4   0.220755D+01  0.831715D+01  0.561245D+01 -0.380857D+01 -0.176043D+01
      5  -0.136048D+02 -0.293173D+02 -0.973485D+01 -0.125674D+02 -0.130699D+02
      6   0.106009D+02 -0.204845D+01  0.119801D+02 -0.126122D+02 -0.488297D-01
               101           102           103           104           105 
      1  -0.271651D+00  0.991084D+01  0.412118D+01 -0.382776D+01 -0.108131D+02
      2   0.548296D+01  0.150926D+02  0.442912D+01 -0.171773D+01 -0.852705D+01
      3  -0.521131D+01 -0.250035D+02 -0.855030D+01  0.554549D+01  0.193401D+02
      4   0.285240D+01 -0.520754D-01  0.210105D+01 -0.142905D+01 -0.128487D+01
      5   0.303371D+01  0.190506D+02  0.363279D+01 -0.461795D+01 -0.598000D+01
      6  -0.579088D+01 -0.153509D+01 -0.302631D+01  0.655936D+01  0.741669D+01
               106           107           108           109           110 
      1   0.585110D+01 -0.331999D+01 -0.219607D+02  0.475599D+01  0.251327D+01
      2   0.100755D+02 -0.469473D+01 -0.278233D+02 -0.157103D+02  0.122852D+01
      3  -0.159267D+02  0.801472D+01  0.497841D+02  0.109543D+02 -0.374179D+01
      4  -0.825759D-01 -0.183444D+01 -0.171126D+01 -0.114939D+02  0.719918D+01
      5   0.153091D+02 -0.455007D+01 -0.179582D+02  0.287453D+02 -0.607987D+01
      6  -0.147876D+01  0.716150D+01  0.208336D+01 -0.934766D+01  0.932371D+01
               111           112           113           114           115 
      1  -0.328045D+01  0.177112D+01 -0.190057D+01  0.245188D+01 -0.205580D+01
      2  -0.132147D+02  0.179317D+01  0.209308D+01  0.477907D+00 -0.778666D+01
      3   0.164951D+02 -0.356429D+01 -0.192507D+00 -0.292979D+01  0.984246D+01
      4  -0.865487D+01  0.763077D+01 -0.296771D+01  0.426363D+01 -0.530606D+01
      5   0.258743D+02 -0.592168D+01  0.486689D+01 -0.614513D+01  0.171464D+02
      6  -0.113103D+02  0.653691D+01 -0.663273D+01  0.885894D+01 -0.736040D+01
               116           117           118           119           120 
      1   0.190325D+01 -0.841102D+01 -0.338843D+01  0.152008D+02 -0.468531D+01
      2  -0.528004D-01 -0.147884D+02  0.109674D+02 -0.274501D+02  0.314899D+01
      3  -0.185045D+01  0.231994D+02 -0.757895D+01  0.122494D+02  0.153632D+01
      4   0.264230D+01 -0.622696D+01 -0.690593D+01  0.144008D+02 -0.384677D+01
      5  -0.495277D+01  0.166575D+02  0.143227D+01 -0.467214D+01  0.286626D+01
      6   0.629958D+01 -0.933118D+01 -0.675930D+01  0.106954D+02 -0.621345D+01
               121           122           123           124           125 
      1   0.884344D+01 -0.378777D+02  0.746624D+01 -0.158713D+01  0.448469D+01
      2  -0.146366D+02  0.686542D+02 -0.984378D+01  0.826762D-01 -0.438317D+01
      3   0.579312D+01 -0.307765D+02  0.237754D+01  0.150446D+01 -0.101518D+00
      4   0.117440D+02 -0.101898D+02  0.755843D+00 -0.210961D+01  0.396788D+00
      5  -0.389194D+01  0.308016D+01 -0.861174D+00  0.269071D+01 -0.877164D+00
      6   0.454095D+01 -0.250962D+02  0.135216D+02 -0.299521D+01  0.121257D+02
               126           127           128           129           130 
      1  -0.589721D+01  0.226269D+02  0.333451D+01 -0.211883D+01  0.200980D+01
      2   0.548218D+01 -0.350762D+01  0.637550D+01  0.819836D+00  0.329511D+01
      3   0.415035D+00 -0.191192D+02 -0.971001D+01  0.129899D+01 -0.530491D+01
      4  -0.279476D+01  0.384325D+02  0.241201D+02 -0.138327D+02  0.150200D+02
      5   0.121197D+01 -0.231747D+02 -0.106930D+02  0.131703D+02 -0.527170D+01
      6  -0.368410D+01 -0.174168D+02 -0.119397D+02  0.135001D+02 -0.656762D+01
               131           132           133           134           135 
      1  -0.160318D+01  0.795391D+00 -0.294327D+01  0.979100D+00  0.110570D+01
      2   0.103721D+02 -0.363759D+01  0.238318D+01 -0.327571D+01 -0.419409D+01
      3  -0.876888D+01  0.284220D+01  0.560089D+00  0.229661D+01  0.308839D+01
      4   0.105530D+02 -0.544826D+01 -0.112735D+02 -0.700332D+01  0.846406D+01
      5  -0.492879D+01  0.359804D+01  0.132824D+02  0.542770D+01 -0.866596D+01
      6  -0.882189D+01  0.548467D+01  0.101943D+02  0.806607D+01 -0.836229D+01
               136           137           138           139           140 
      1  -0.136528D+01  0.152638D+01  0.388980D+00  0.262592D+01 -0.404584D+01
      2  -0.468201D+01 -0.149499D+01  0.552819D+01 -0.369342D+01  0.154678D+01
      3   0.604729D+01 -0.313858D-01 -0.591717D+01  0.106749D+01  0.249906D+01
      4  -0.132353D+01  0.548471D+01  0.440843D+01  0.137828D+01 -0.299993D+01
      5  -0.596899D+01  0.163946D+01  0.129022D+02 -0.289304D+01 -0.247483D+01
      6   0.237968D+01 -0.310966D+01 -0.337873D+01 -0.130261D+01  0.192765D+01
               141           142           143           144           145 
      1   0.339896D+00 -0.179086D+01 -0.654352D+01 -0.296946D+02  0.766488D+01
      2   0.752382D+01  0.664260D+01  0.114448D+01 -0.279013D+02  0.676229D+01
      3  -0.786371D+01 -0.485174D+01  0.539904D+01  0.575959D+02 -0.144272D+02
      4  -0.135219D+01  0.464357D+01 -0.377762D+01 -0.894530D+01 -0.208744D+02
      5   0.445793D+01  0.116578D+02 -0.371842D+01 -0.262555D+02 -0.492609D+01
      6   0.531299D+01 -0.472460D+01  0.106443D+02  0.260262D+02  0.467916D+01
               146           147           148           149           150 
      1   0.760025D+00  0.208341D+01 -0.309247D+00 -0.157928D+02 -0.220013D+01
      2  -0.148388D+02 -0.195063D+01 -0.130093D+02  0.428934D+02  0.155154D+01
      3   0.140788D+02 -0.132784D+00  0.133186D+02 -0.271006D+02  0.648584D+00
      4   0.271888D+02  0.430933D+01  0.220666D+02 -0.355697D+02 -0.323607D+01
      5   0.727218D+01  0.517189D+01  0.530043D+01 -0.521981D+01 -0.397409D+01
      6  -0.879611D+01 -0.526767D+01 -0.693805D+01  0.145364D+02  0.806981D+01
               151           152           153           154           155 
      1   0.320781D+01 -0.362220D+00 -0.477480D+01  0.750312D+01 -0.795929D+00
      2   0.103613D+01 -0.723056D+01  0.179052D+01 -0.816636D+00  0.709214D+01
      3  -0.424393D+01  0.759278D+01  0.298428D+01 -0.668648D+01 -0.629621D+01
      4  -0.487442D+01  0.577782D+01 -0.492333D+01  0.206855D+02  0.194125D+02
      5   0.127998D+01 -0.294205D+01 -0.163380D+01  0.181198D+02  0.110139D+02
      6  -0.248219D+01  0.535272D+01  0.261178D+01  0.141187D+02  0.123126D+02
               156           157           158           159           160 
      1   0.124716D+01 -0.192273D+01 -0.643175D+01 -0.443310D+01  0.991001D+00
      2  -0.148054D+01  0.679778D+01  0.137345D+02  0.547866D+01 -0.193812D+01
      3   0.233384D+00 -0.487505D+01 -0.730273D+01 -0.104556D+01  0.947120D+00
      4   0.139449D+02  0.157665D+02  0.158848D+02  0.100578D+02  0.127707D+02
      5   0.158333D+02  0.758687D+01  0.954970D+01  0.741629D+01  0.155437D+02
      6   0.126054D+02  0.100170D+02  0.143570D+02  0.155016D+02  0.122451D+02
               161           162           163           164           165 
      1  -0.537112D+01 -0.702128D+01  0.111866D+02 -0.255973D+01  0.164544D+01
      2   0.458033D+01 -0.488839D+00 -0.120477D+02  0.618703D+01 -0.105407D+02
      3   0.790785D+00  0.751012D+01  0.861098D+00 -0.362730D+01  0.889522D+01
      4   0.114368D+02  0.135402D+02  0.250284D+02  0.150074D+02  0.177837D+02
      5   0.101752D+02  0.170174D+02  0.262588D+02  0.909898D+01  0.230207D+02
      6   0.181141D+02  0.203592D+02  0.178331D+02  0.107855D+02  0.167124D+02
               166           167           168           169           170 
      1  -0.699014D+00 -0.767121D+00 -0.115635D+01  0.307939D+01 -0.285171D+01
      2   0.346489D+01  0.297095D+01  0.119024D+01 -0.980366D+01  0.322445D+00
      3  -0.276587D+01 -0.220383D+01 -0.338885D-01  0.672427D+01  0.252927D+01
      4   0.788312D+01  0.541866D+01  0.341620D+01  0.161870D+02  0.635052D+01
      5   0.274325D+01  0.392947D+01  0.162076D+01  0.201803D+02  0.577180D+01
      6   0.447874D+01  0.294130D+01  0.655182D+01  0.123937D+02  0.125788D+02
               171           172           173           174           175 
      1  -0.492479D+01 -0.769588D+00 -0.118903D-01  0.759102D+00 -0.251078D+00
      2  -0.836448D+01  0.357831D+01  0.582959D+01 -0.384088D+01  0.558593D+01
      3   0.132893D+02 -0.280872D+01 -0.581770D+01  0.308178D+01 -0.533486D+01
      4   0.125835D+02  0.531119D+01  0.103188D+02 -0.159701D+01  0.101605D+02
      5   0.189253D+02  0.573146D+00  0.397628D+00  0.500033D+01  0.519593D+00
      6   0.179353D+02  0.628910D+00 -0.206357D+01  0.222321D+01 -0.207123D+01
               176           177           178           179           180 
      1  -0.170760D+02  0.540545D+01  0.310618D+00  0.113877D+02 -0.485656D+01
      2   0.437421D+02 -0.180249D+02 -0.477358D+01 -0.297718D+02  0.128761D+02
      3  -0.266661D+02  0.126195D+02  0.446296D+01  0.183842D+02 -0.801951D+01
      4   0.117603D+02 -0.542222D+01 -0.559068D+01 -0.981085D+01  0.483000D+01
      5  -0.301730D+01  0.233134D+01  0.315431D+01  0.281643D+01 -0.351080D+01
      6  -0.836739D+01  0.125797D+02  0.157540D+01  0.107258D+02 -0.154895D+02
               181           182           183           184           185 
      1  -0.396078D+01  0.118286D+02  0.114939D+02  0.616986D+01 -0.979444D+01
      2   0.494882D+00 -0.129093D+02 -0.259092D+01 -0.655210D+01  0.124665D+02
      3   0.346590D+01  0.108075D+01 -0.890301D+01  0.382241D+00 -0.267207D+01
      4  -0.183146D+02  0.113668D+02  0.127372D+02  0.900640D+01 -0.851419D+01
      5  -0.124870D+02  0.691755D+01  0.113448D+02  0.414883D+01 -0.594082D+01
      6   0.148881D+02 -0.161606D+02 -0.168087D+02 -0.906289D+01  0.107266D+02
               186           187           188           189           190 
      1  -0.715540D+01  0.793262D+01 -0.100210D+02 -0.139928D+02  0.700832D+01
      2   0.368553D+01 -0.233133D+01  0.514554D+01  0.104563D+01 -0.624986D+01
      3   0.346987D+01 -0.560129D+01  0.487551D+01  0.129472D+02 -0.758461D+00
      4  -0.684767D+01  0.121932D+02 -0.742217D+01 -0.772778D+01  0.408072D+01
      5  -0.363122D+01  0.109904D+02 -0.383132D+01 -0.734798D+01 -0.579829D+01
      6   0.127550D+02 -0.103698D+02  0.171808D+02  0.204613D+02 -0.140050D+01
               191           192           193           194           195 
      1   0.506602D+01 -0.390647D+01  0.114264D+02 -0.220370D+00 -0.152160D+01
      2  -0.341765D+01  0.527502D+01 -0.751003D+01  0.134136D+01  0.371218D+01
      3  -0.164838D+01 -0.136856D+01 -0.391632D+01 -0.112099D+01 -0.219058D+01
      4   0.383338D+01 -0.269230D+01  0.427946D+01  0.401669D+01 -0.747992D+01
      5  -0.379526D+01  0.133677D+02 -0.501015D+01 -0.731460D+01  0.124155D+02
      6  -0.794874D+00 -0.985449D-01 -0.129878D+00 -0.222744D+01  0.241698D+01
               196           197           198           199           200 
      1  -0.120072D+02 -0.482915D-01  0.554263D+01  0.757112D+01 -0.541662D+01
      2   0.909578D+01  0.315659D+01 -0.157845D+02 -0.239529D+00 -0.536441D+00
      3   0.291141D+01 -0.310830D+01  0.102418D+02 -0.733159D+01  0.595306D+01
      4  -0.115533D+01 -0.102351D+02  0.861221D+01 -0.859289D+01  0.147061D+02
      5   0.184275D+02  0.994256D+01 -0.326707D+02  0.744920D+00  0.330600D+01
      6  -0.137565D+01  0.395591D+01  0.119442D+01  0.154868D+01 -0.156887D+01
               201           202           203           204           205 
      1   0.139433D+01 -0.123723D+02 -0.360465D+01  0.443190D+00  0.178296D+01
      2  -0.108155D+01 -0.175651D+01  0.261981D+02  0.208430D+01 -0.139236D+01
      3  -0.312783D+00  0.141288D+02 -0.225934D+02 -0.252749D+01 -0.390599D+00
      4   0.282072D+01  0.254512D+02 -0.487077D+02 -0.764884D+01  0.352011D+01
      5   0.432383D+01  0.495921D+01 -0.680319D+01 -0.734262D+01  0.675043D+01
      6  -0.126214D+01 -0.288873D+01  0.892491D+01  0.819099D+01 -0.240384D+01
               206           207           208           209           210 
      1  -0.269898D+00  0.101527D+01  0.610896D+02  0.857591D+01  0.206407D+02
      2   0.237216D+01  0.339327D+00 -0.333016D+02 -0.513875D+01 -0.122828D+02
      3  -0.210226D+01 -0.135460D+01 -0.277880D+02 -0.343716D+01 -0.835785D+01
      4  -0.666186D+01 -0.443548D+01  0.429095D+01  0.104529D+02  0.172571D+01
      5  -0.469316D+01 -0.443753D+01  0.239996D+02  0.327582D+01  0.184227D+02
      6   0.715110D+01  0.285913D+01 -0.227431D+01  0.694118D+00 -0.175107D+01
               211           212           213           214           215 
      1   0.188064D+02  0.705547D+01  0.491802D+01  0.369361D+02  0.349790D+01
      2  -0.108305D+02 -0.151016D+01 -0.264647D+01 -0.212616D+02 -0.204551D+01
      3  -0.797584D+01 -0.554532D+01 -0.227154D+01 -0.156745D+02 -0.145239D+01
      4   0.123350D+02  0.259063D+01  0.365169D+01  0.171940D+01  0.710963D+01
      5   0.742539D+01  0.367396D+01  0.786041D+01  0.249567D+02  0.473207D+01
      6   0.106751D+01  0.195881D+01  0.197308D+01 -0.156422D+01  0.217870D+01
               216           217           218           219           220 
      1   0.153196D+02 -0.694301D+01 -0.501365D+01  0.147222D+02 -0.926493D+00
      2  -0.133816D+02 -0.583654D+01  0.158030D+01  0.448563D+01 -0.851699D+00
      3  -0.193791D+01  0.127796D+02  0.343335D+01 -0.192078D+02  0.177819D+01
      4   0.355923D+01  0.123337D+02  0.304673D+01 -0.660066D+01  0.307813D+01
      5   0.191236D+02 -0.205467D+02 -0.143720D+00  0.129649D+02  0.535796D+00
      6  -0.127626D+01 -0.480770D+01 -0.854998D+01  0.106213D+02 -0.405073D+01
               221           222           223           224           225 
      1  -0.277515D+01  0.580221D+00  0.914820D+01  0.148545D+01 -0.107950D+02
      2   0.430009D+01 -0.256054D+01  0.262646D+01 -0.112884D+01 -0.925857D+01
      3  -0.152494D+01  0.198032D+01 -0.117747D+02 -0.356610D+00  0.200535D+02
      4  -0.487258D+00 -0.116275D+01 -0.614760D+01 -0.195107D+01  0.465171D+01
      5  -0.264259D+01  0.306436D+01  0.140390D+02  0.181121D+01 -0.750543D+01
      6  -0.266953D+01  0.277032D+01  0.513081D+01  0.430630D+01 -0.639987D+01
               226           227           228           229           230 
      1   0.105238D+02  0.236291D+01  0.189710D+01  0.388324D+01 -0.602080D+00
      2  -0.213072D+02 -0.468725D+01 -0.219138D+02 -0.827871D+01 -0.537191D-01
      3   0.107834D+02  0.232434D+01  0.200167D+02  0.439547D+01  0.655799D+00
      4  -0.471014D+01  0.520282D+01 -0.538126D+01  0.289672D+01  0.297842D+00
      5   0.288067D+02  0.173456D+01  0.310761D+02  0.943892D+01  0.574784D+01
      6  -0.236730D+01  0.692945D+01 -0.389096D+01  0.444704D+01  0.196481D+01
               231           232           233           234           235 
      1  -0.174354D+01  0.279613D+01  0.469874D-01 -0.769781D+01 -0.198170D+00
      2  -0.100078D+02 -0.180650D+02 -0.363361D+01 -0.289748D+02  0.211457D+01
      3   0.117514D+02  0.152689D+02  0.358662D+01  0.366726D+02 -0.191640D+01
      4   0.219699D+01 -0.488069D+01  0.254876D+01 -0.306657D+01 -0.563615D+01
      5   0.107149D+02  0.261811D+02  0.277476D+01  0.319692D+02  0.293146D+01
      6   0.444406D+01 -0.223369D+01  0.625768D+01 -0.480763D+01 -0.370814D+01
               236           237           238           239           240 
      1  -0.690958D+00  0.518455D-01 -0.521914D+00 -0.222077D+02  0.593265D+01
      2  -0.580123D+01 -0.195335D+01 -0.670546D+01  0.492486D+02 -0.128117D+01
      3   0.649219D+01  0.190150D+01  0.722737D+01 -0.270409D+02 -0.465147D+01
      4   0.111785D+02 -0.176328D+01  0.130040D+02 -0.252043D+02  0.326453D+01
      5  -0.366851D+01  0.581846D+01 -0.534611D+01  0.684100D+01 -0.369882D+01
      6   0.564124D+01 -0.139246D+01  0.646480D+01 -0.323544D+02  0.122396D+02
               241           242           243 
      1  -0.426380D+00  0.419383D+00 -0.142585D+01
      2  -0.227050D+01  0.469265D+01  0.184112D+01
      3   0.269688D+01 -0.511204D+01 -0.415273D+00
      4   0.120521D+01 -0.258536D+01 -0.139121D+01
      5   0.334433D+01 -0.376734D+00  0.102934D+01
      6  -0.283481D+00  0.443303D+01  0.329609D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Mar 16 21:10:04 2022, MaxMem=  6442450944 cpu:           30487.2 elap:            3812.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.14387 -10.27088 -10.19993 -10.19586 -10.19032
 Alpha  occ. eigenvalues --  -10.18751 -10.18656 -10.18223 -10.17580 -10.17527
 Alpha  occ. eigenvalues --  -10.17390  -1.05413  -0.89376  -0.77495  -0.76975
 Alpha  occ. eigenvalues --   -0.74344  -0.68757  -0.67270  -0.64459  -0.58948
 Alpha  occ. eigenvalues --   -0.54403  -0.50588  -0.49064  -0.48728  -0.47374
 Alpha  occ. eigenvalues --   -0.45013  -0.42815  -0.41865  -0.41021  -0.40376
 Alpha  occ. eigenvalues --   -0.39959  -0.39018  -0.38504  -0.37705  -0.36598
 Alpha  occ. eigenvalues --   -0.34985  -0.34680  -0.33718  -0.32551  -0.31669
 Alpha  occ. eigenvalues --   -0.30109  -0.24495
 Alpha virt. eigenvalues --   -0.02654  -0.01002   0.00184   0.00406   0.00682
 Alpha virt. eigenvalues --    0.02527   0.02680   0.02745   0.02773   0.03278
 Alpha virt. eigenvalues --    0.05103   0.05273   0.05574   0.05775   0.05908
 Alpha virt. eigenvalues --    0.06337   0.06518   0.07218   0.08360   0.08810
 Alpha virt. eigenvalues --    0.09110   0.09169   0.09567   0.10126   0.10396
 Alpha virt. eigenvalues --    0.10729   0.10820   0.11008   0.11202   0.11517
 Alpha virt. eigenvalues --    0.11659   0.11966   0.12174   0.12454   0.12842
 Alpha virt. eigenvalues --    0.13017   0.13500   0.14066   0.14502   0.14892
 Alpha virt. eigenvalues --    0.15221   0.15826   0.16086   0.16601   0.16840
 Alpha virt. eigenvalues --    0.17381   0.17628   0.18304   0.18375   0.18862
 Alpha virt. eigenvalues --    0.19343   0.19776   0.19962   0.20561   0.20980
 Alpha virt. eigenvalues --    0.21800   0.21957   0.22487   0.22803   0.23237
 Alpha virt. eigenvalues --    0.23763   0.24204   0.24803   0.25135   0.25651
 Alpha virt. eigenvalues --    0.25986   0.26773   0.27171   0.27526   0.28988
 Alpha virt. eigenvalues --    0.29062   0.29473   0.29713   0.29918   0.30296
 Alpha virt. eigenvalues --    0.30666   0.31750   0.31947   0.32316   0.33231
 Alpha virt. eigenvalues --    0.33655   0.33913   0.34599   0.34876   0.35702
 Alpha virt. eigenvalues --    0.36364   0.37182   0.37535   0.38109   0.38284
 Alpha virt. eigenvalues --    0.38721   0.39214   0.39875   0.40154   0.40262
 Alpha virt. eigenvalues --    0.40507   0.40838   0.41337   0.41583   0.42432
 Alpha virt. eigenvalues --    0.43087   0.43927   0.44058   0.44818   0.45632
 Alpha virt. eigenvalues --    0.46300   0.47101   0.47925   0.48582   0.48831
 Alpha virt. eigenvalues --    0.49441   0.50174   0.51283   0.52041   0.52230
 Alpha virt. eigenvalues --    0.52866   0.53445   0.54130   0.54179   0.55360
 Alpha virt. eigenvalues --    0.55793   0.56415   0.56786   0.57026   0.57876
 Alpha virt. eigenvalues --    0.58215   0.58442   0.58759   0.59552   0.59642
 Alpha virt. eigenvalues --    0.60163   0.61097   0.61590   0.62313   0.62507
 Alpha virt. eigenvalues --    0.63091   0.63599   0.64572   0.65265   0.65589
 Alpha virt. eigenvalues --    0.66054   0.67088   0.67214   0.67803   0.68227
 Alpha virt. eigenvalues --    0.68396   0.69567   0.70071   0.70774   0.71601
 Alpha virt. eigenvalues --    0.71899   0.72331   0.72733   0.73499   0.73821
 Alpha virt. eigenvalues --    0.74747   0.75423   0.75755   0.76594   0.76933
 Alpha virt. eigenvalues --    0.77991   0.78190   0.79315   0.79704   0.80728
 Alpha virt. eigenvalues --    0.80915   0.81534   0.82008   0.82770   0.83437
 Alpha virt. eigenvalues --    0.84461   0.85331   0.85738   0.86102   0.86812
 Alpha virt. eigenvalues --    0.89039   0.89458   0.90414   0.91444   0.91676
 Alpha virt. eigenvalues --    0.92229   0.93523   0.94188   0.95186   0.96283
 Alpha virt. eigenvalues --    0.97056   0.99966   1.01191   1.01875   1.02247
 Alpha virt. eigenvalues --    1.04001   1.04500   1.05100   1.07317   1.08090
 Alpha virt. eigenvalues --    1.09440   1.11552   1.12092   1.12986   1.14710
 Alpha virt. eigenvalues --    1.15117   1.17224   1.17476   1.17778   1.19261
 Alpha virt. eigenvalues --    1.21309   1.22014   1.22500   1.23400   1.24534
 Alpha virt. eigenvalues --    1.25308   1.27963   1.29328   1.30980   1.32323
 Alpha virt. eigenvalues --    1.32960   1.34506   1.36809   1.39354   1.41145
 Alpha virt. eigenvalues --    1.41613   1.43629   1.44727   1.47083   1.47569
 Alpha virt. eigenvalues --    1.49278   1.50303   1.50971   1.51557   1.53059
 Alpha virt. eigenvalues --    1.54716   1.56347   1.57145   1.58297   1.58830
 Alpha virt. eigenvalues --    1.58985   1.60220   1.61319   1.62449   1.64386
 Alpha virt. eigenvalues --    1.65568   1.66296   1.68554   1.69099   1.71088
 Alpha virt. eigenvalues --    1.72162   1.73005   1.74427   1.74987   1.75922
 Alpha virt. eigenvalues --    1.77063   1.78566   1.79636   1.80541   1.82124
 Alpha virt. eigenvalues --    1.82390   1.83465   1.83982   1.86249   1.86511
 Alpha virt. eigenvalues --    1.87095   1.87436   1.88617   1.89987   1.90573
 Alpha virt. eigenvalues --    1.91763   1.92583   1.95099   1.95525   1.96255
 Alpha virt. eigenvalues --    1.97371   1.98510   2.00236   2.01913   2.02350
 Alpha virt. eigenvalues --    2.04209   2.04978   2.05697   2.06819   2.08178
 Alpha virt. eigenvalues --    2.09685   2.10292   2.10983   2.11991   2.13444
 Alpha virt. eigenvalues --    2.14393   2.15453   2.17303   2.20406   2.20631
 Alpha virt. eigenvalues --    2.21351   2.22762   2.23870   2.24563   2.26766
 Alpha virt. eigenvalues --    2.27912   2.29466   2.30893   2.32131   2.33946
 Alpha virt. eigenvalues --    2.35048   2.36868   2.37489   2.38883   2.38970
 Alpha virt. eigenvalues --    2.40090   2.42571   2.43906   2.45327   2.46536
 Alpha virt. eigenvalues --    2.47874   2.48598   2.50453   2.50915   2.53366
 Alpha virt. eigenvalues --    2.53494   2.56085   2.56877   2.58412   2.59310
 Alpha virt. eigenvalues --    2.60468   2.62356   2.62851   2.65541   2.66201
 Alpha virt. eigenvalues --    2.68482   2.70136   2.70868   2.74984   2.75907
 Alpha virt. eigenvalues --    2.78241   2.79334   2.84491   2.84837   2.85902
 Alpha virt. eigenvalues --    2.89982   2.91639   2.98452   3.00153   3.04994
 Alpha virt. eigenvalues --    3.09366   3.14601   3.21210   3.29004   3.35878
 Alpha virt. eigenvalues --    3.40356   3.47804   3.49190   3.50784   3.57082
 Alpha virt. eigenvalues --    3.69604   3.86750   4.14290   4.47888   5.23932
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   19.475098  -3.979807   0.061289   0.210967  -2.630590   0.207014
     2  C   -3.979807  17.040172  -2.167792   1.843350  -2.941337  -3.626923
     3  C    0.061289  -2.167792   9.837123  -2.912618   1.285905   0.657265
     4  C    0.210967   1.843350  -2.912618   9.223186  -2.662892  -0.694219
     5  C   -2.630590  -2.941337   1.285905  -2.662892  16.915818   0.514257
     6  C    0.207014  -3.626923   0.657265  -0.694219   0.514257  10.815997
     7  C   -0.264971   1.944618  -0.527198   0.354681  -2.212493  -1.436139
     8  C   -0.334571  -0.974004  -0.752701   0.287066   0.484624  -0.910021
     9  O    0.080579   0.093923  -0.057900   0.095722  -0.122027  -0.444317
    10  C   -2.300407  -0.313661  -0.210953  -0.001315  -0.267447   0.168304
    11  C   -2.026180   0.117887   0.002373  -0.162461  -0.428682   0.007766
    12  H    0.130161   0.459798  -0.883628   0.342595  -0.300748   0.126315
    13  H   -0.041525  -0.139886  -1.004856   0.327209  -0.027640  -0.029324
    14  H    0.226395  -0.355972   0.667833  -1.025462  -0.413112   0.248757
    15  H   -0.180452  -0.257824   0.481970  -0.867272   0.710017  -0.099808
    16  H   -0.380292   0.159016   0.007581  -0.105822   0.739985   0.011595
    17  H    0.459405  -0.431506   0.045248   0.163927  -0.675393   0.348265
    18  H   -0.196608   0.295128   0.063797   0.401375  -3.283219   0.005123
    19  H   -0.002558  -0.001833   0.207281   0.038107  -0.086851   0.300061
    20  H   -0.168485   0.272392  -0.097378  -0.075614   0.108847  -0.011657
    21  H    0.069865  -0.150155  -0.003380   0.029291   0.107986  -0.325916
    22  H    0.664329  -0.337124   0.012001  -0.201861  -0.146608   0.074409
    23  H   -0.225250  -0.259771   0.223043  -0.115715   0.113212   0.071254
    24  H   -0.198020   0.415637  -0.144374   0.204703  -0.135745  -0.091973
    25  H    0.986183  -0.476912   0.016527   0.064415  -0.147660  -0.140331
    26  H   -0.126351   0.228138  -0.129267   0.097764  -0.328954  -0.078144
    27  H   -0.253258  -0.001286   0.137825  -0.115381   0.163528   0.263355
               7          8          9         10         11         12
     1  C   -0.264971  -0.334571   0.080579  -2.300407  -2.026180   0.130161
     2  C    1.944618  -0.974004   0.093923  -0.313661   0.117887   0.459798
     3  C   -0.527198  -0.752701  -0.057900  -0.210953   0.002373  -0.883628
     4  C    0.354681   0.287066   0.095722  -0.001315  -0.162461   0.342595
     5  C   -2.212493   0.484624  -0.122027  -0.267447  -0.428682  -0.300748
     6  C   -1.436139  -0.910021  -0.444317   0.168304   0.007766   0.126315
     7  C    8.136263   0.015526  -0.040550  -0.232280  -0.139563   0.047145
     8  C    0.015526   7.166970   0.069220  -0.118383  -0.113026  -0.232258
     9  O   -0.040550   0.069220   8.909190   0.027488  -0.033113  -0.007318
    10  C   -0.232280  -0.118383   0.027488   7.278319  -0.432397  -0.010071
    11  C   -0.139563  -0.113026  -0.033113  -0.432397   7.105368   0.041847
    12  H    0.047145  -0.232258  -0.007318  -0.010071   0.041847   3.542065
    13  H   -0.110589   0.117183   0.039364   0.101326  -0.002472  -1.213615
    14  H    0.072195  -0.068770  -0.009745   0.105266  -0.032444   0.292408
    15  H   -0.006828   0.047510   0.005724  -0.135743   0.066163  -0.655119
    16  H   -0.542419   0.069585   0.029915   0.051473  -0.112436  -0.005983
    17  H   -0.534301  -0.048145   0.051319  -0.011769   0.086435   0.009409
    18  H    0.405254  -0.068050  -0.002504   0.119301   0.142422   0.022233
    19  H    0.022713  -0.234996  -0.030715  -0.002132   0.033000   0.016900
    20  H   -0.017730  -0.061024   0.024509   0.012245  -0.006987  -0.003735
    21  H   -0.024936   0.157222   0.020964   0.046712  -0.026612  -0.119966
    22  H    0.020103   0.081250  -0.008370  -0.261523   0.145549  -0.015338
    23  H   -0.085213  -0.183865   0.005329   0.263772   0.068164  -0.027734
    24  H    0.097535   0.003604   0.003506  -0.037764  -0.228127   0.012553
    25  H   -0.148788   0.062559   0.076032   0.099222  -0.254742   0.002930
    26  H    0.276823   0.020126   0.000942  -0.012099  -0.142779  -0.014910
    27  H   -0.167677  -0.207531  -0.028915   0.007454   0.207485   0.017127
              13         14         15         16         17         18
     1  C   -0.041525   0.226395  -0.180452  -0.380292   0.459405  -0.196608
     2  C   -0.139886  -0.355972  -0.257824   0.159016  -0.431506   0.295128
     3  C   -1.004856   0.667833   0.481970   0.007581   0.045248   0.063797
     4  C    0.327209  -1.025462  -0.867272  -0.105822   0.163927   0.401375
     5  C   -0.027640  -0.413112   0.710017   0.739985  -0.675393  -3.283219
     6  C   -0.029324   0.248757  -0.099808   0.011595   0.348265   0.005123
     7  C   -0.110589   0.072195  -0.006828  -0.542419  -0.534301   0.405254
     8  C    0.117183  -0.068770   0.047510   0.069585  -0.048145  -0.068050
     9  O    0.039364  -0.009745   0.005724   0.029915   0.051319  -0.002504
    10  C    0.101326   0.105266  -0.135743   0.051473  -0.011769   0.119301
    11  C   -0.002472  -0.032444   0.066163  -0.112436   0.086435   0.142422
    12  H   -1.213615   0.292408  -0.655119  -0.005983   0.009409   0.022233
    13  H    3.639582  -0.423866   0.315858   0.015117  -0.014399  -0.008125
    14  H   -0.423866   3.393735  -1.178418   0.052674  -0.090859   0.092094
    15  H    0.315858  -1.178418   3.428161  -0.029220   0.077579  -0.167817
    16  H    0.015117   0.052674  -0.029220   2.538239  -0.839171  -0.143748
    17  H   -0.014399  -0.090859   0.077579  -0.839171   2.783191   0.064518
    18  H   -0.008125   0.092094  -0.167817  -0.143748   0.064518   4.148594
    19  H   -0.043091   0.003852  -0.005323  -0.002093  -0.004093   0.002301
    20  H    0.006529  -0.000451  -0.005220   0.006451  -0.004034  -0.001518
    21  H    0.076666  -0.011829   0.022109  -0.001105   0.002515  -0.008186
    22  H    0.024373   0.026091  -0.042343   0.013818  -0.007856  -0.003928
    23  H    0.023808  -0.016047   0.033816  -0.015137   0.007001   0.027457
    24  H   -0.009373   0.028287  -0.023083   0.015490  -0.003745   0.033407
    25  H    0.002486  -0.004741   0.013167  -0.103841   0.041289   0.009859
    26  H    0.005843  -0.006612   0.018982  -0.020203   0.030823   0.024541
    27  H   -0.001824   0.005960  -0.017730   0.036555  -0.017886   0.020573
              19         20         21         22         23         24
     1  C   -0.002558  -0.168485   0.069865   0.664329  -0.225250  -0.198020
     2  C   -0.001833   0.272392  -0.150155  -0.337124  -0.259771   0.415637
     3  C    0.207281  -0.097378  -0.003380   0.012001   0.223043  -0.144374
     4  C    0.038107  -0.075614   0.029291  -0.201861  -0.115715   0.204703
     5  C   -0.086851   0.108847   0.107986  -0.146608   0.113212  -0.135745
     6  C    0.300061  -0.011657  -0.325916   0.074409   0.071254  -0.091973
     7  C    0.022713  -0.017730  -0.024936   0.020103  -0.085213   0.097535
     8  C   -0.234996  -0.061024   0.157222   0.081250  -0.183865   0.003604
     9  O   -0.030715   0.024509   0.020964  -0.008370   0.005329   0.003506
    10  C   -0.002132   0.012245   0.046712  -0.261523   0.263772  -0.037764
    11  C    0.033000  -0.006987  -0.026612   0.145549   0.068164  -0.228127
    12  H    0.016900  -0.003735  -0.119966  -0.015338  -0.027734   0.012553
    13  H   -0.043091   0.006529   0.076666   0.024373   0.023808  -0.009373
    14  H    0.003852  -0.000451  -0.011829   0.026091  -0.016047   0.028287
    15  H   -0.005323  -0.005220   0.022109  -0.042343   0.033816  -0.023083
    16  H   -0.002093   0.006451  -0.001105   0.013818  -0.015137   0.015490
    17  H   -0.004093  -0.004034   0.002515  -0.007856   0.007001  -0.003745
    18  H    0.002301  -0.001518  -0.008186  -0.003928   0.027457   0.033407
    19  H    1.975950  -0.475555  -0.546639   0.008280   0.009370  -0.009859
    20  H   -0.475555   2.131389  -0.499273   0.032909  -0.020279  -0.003323
    21  H   -0.546639  -0.499273   2.395039  -0.061734   0.036771   0.032374
    22  H    0.008280   0.032909  -0.061734   2.638848  -0.679918  -0.592517
    23  H    0.009370  -0.020279   0.036771  -0.679918   2.615329  -0.577271
    24  H   -0.009859  -0.003323   0.032374  -0.592517  -0.577271   2.475493
    25  H    0.015419  -0.081460   0.031760  -0.063306   0.073816   0.003475
    26  H   -0.010007   0.033792   0.006589   0.040141   0.011930  -0.025286
    27  H    0.007821   0.036518  -0.038811   0.055209  -0.100280   0.030061
              25         26         27
     1  C    0.986183  -0.126351  -0.253258
     2  C   -0.476912   0.228138  -0.001286
     3  C    0.016527  -0.129267   0.137825
     4  C    0.064415   0.097764  -0.115381
     5  C   -0.147660  -0.328954   0.163528
     6  C   -0.140331  -0.078144   0.263355
     7  C   -0.148788   0.276823  -0.167677
     8  C    0.062559   0.020126  -0.207531
     9  O    0.076032   0.000942  -0.028915
    10  C    0.099222  -0.012099   0.007454
    11  C   -0.254742  -0.142779   0.207485
    12  H    0.002930  -0.014910   0.017127
    13  H    0.002486   0.005843  -0.001824
    14  H   -0.004741  -0.006612   0.005960
    15  H    0.013167   0.018982  -0.017730
    16  H   -0.103841  -0.020203   0.036555
    17  H    0.041289   0.030823  -0.017886
    18  H    0.009859   0.024541   0.020573
    19  H    0.015419  -0.010007   0.007821
    20  H   -0.081460   0.033792   0.036518
    21  H    0.031760   0.006589  -0.038811
    22  H   -0.063306   0.040141   0.055209
    23  H    0.073816   0.011930  -0.100280
    24  H    0.003475  -0.025286   0.030061
    25  H    2.552438  -0.632733  -0.640765
    26  H   -0.632733   2.631007  -0.588512
    27  H   -0.640765  -0.588512   2.489286
 Mulliken charges:
               1
     1  C   -3.261958
     2  C   -0.454268
     3  C    1.184985
     4  C    1.256274
     5  C    1.667217
     6  C    0.069034
     7  C    1.098819
     8  C    1.724899
     9  O   -0.748253
    10  C    2.067065
    11  C    2.117562
    12  H   -0.573061
    13  H   -0.624760
    14  H   -0.577222
    15  H   -0.548857
    16  H   -0.446024
    17  H   -0.487768
    18  H   -0.994274
    19  H   -0.185307
    20  H   -0.131856
    21  H   -0.217322
    22  H   -0.414885
    23  H   -0.277590
    24  H   -0.275662
    25  H   -0.356298
    26  H   -0.311584
    27  H   -0.298904
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -3.261958
     2  C   -0.454268
     3  C   -0.012836
     4  C    0.130195
     5  C    0.672943
     6  C    0.069034
     7  C    0.165027
     8  C    1.190413
     9  O   -0.748253
    10  C    1.098928
    11  C    1.150775
 Electronic spatial extent (au):  <R**2>=           1477.1707
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.6546    Y=              1.1327    Z=             -0.1844  Tot=              3.8306
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -80.4655   YY=            -67.7529   ZZ=            -67.1614
   XY=             -2.7102   XZ=              1.2393   YZ=              0.4557
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.6722   YY=              4.0404   ZZ=              4.6318
   XY=             -2.7102   XZ=              1.2393   YZ=              0.4557
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             29.6647  YYY=              1.0499  ZZZ=              2.3584  XYY=             -3.4594
  XXY=              7.6821  XXZ=             -4.2740  XZZ=             -2.4290  YZZ=              1.1418
  YYZ=              0.9854  XYZ=              0.3110
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -917.2832 YYYY=           -658.0687 ZZZZ=           -563.0088 XXXY=             -8.4313
 XXXZ=             16.8129 YYYX=             -7.1813 YYYZ=             -1.3136 ZZZX=             -5.3363
 ZZZY=              4.8192 XXYY=           -243.3830 XXZZ=           -222.2794 YYZZ=           -208.1452
 XXYZ=              1.5295 YYXZ=             -1.4242 ZZXY=              2.3053
 N-N= 6.881604640785D+02 E-N=-2.458019418381D+03  KE= 4.632130425951D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Mar 16 21:10:05 2022, MaxMem=  6442450944 cpu:               2.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.39959271D+00 4.37978849D-01-6.79413072D-02
 Polarizability= 1.34726838D+02 1.39843496D+00 1.29803742D+02
                -3.32858223D-01 1.63336491D+00 1.26039997D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.3586    0.3553        0.9051    0.9027
 2     -0.3586   -0.3553       -1.0796   -1.0784       -3.2716   -3.2655
 3     -0.9051   -0.9027        5.2261    5.2197        1.0824    1.0784
 4      1.0796    1.0784       -0.0000    0.0000       -0.9034   -0.9027
 5     -1.9545   -1.9543        0.9034    0.9027        0.3539    0.3553
 6     -1.0824   -1.0784       -0.3539   -0.3553        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.0658   -1.0658        2.7082    2.7082
 2      3.2351    3.2351       -0.0000    0.0000        2.7082    2.7082
 3      3.2351    3.2351       -1.0658   -1.0658        0.0000    0.0000
 4     -1.0658   -1.0658       -3.2351   -3.2351       -9.7964   -9.7964
 5     -2.7082   -2.7082       15.6592   15.6592        3.2351    3.2351
 6     -5.8628   -5.8628        2.7082    2.7082        1.0658    1.0658
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0472    0.0000       -1.4654   -1.4211       -3.7712   -3.6110
 2      1.4589    1.4211        3.9104    4.3135       12.8777   13.0619
 3      4.0898    3.6110      -21.6100  -20.8789       -4.0493   -4.3135
 4     -4.4889   -4.3135       -0.0753    0.0000        3.4930    3.6110
 5      7.7598    7.8170       -3.6729   -3.6110       -1.3773   -1.4211
 6      4.0855    4.3135        1.2169    1.4211       -0.1085    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1105    0.0000        8.3629    8.3732        2.8543    2.8140
 2     -8.3384   -8.3732        4.9375    4.8758       10.0513   10.1709
 3     -3.1299   -2.8140       13.8841   13.6068       -4.7963   -4.8758
 4     -5.0302   -4.8758        0.2659    0.0000       -2.8230   -2.8140
 5    -23.6751  -23.7777        2.8283    2.8140        8.0482    8.3732
 6      4.8733    4.8758       -8.4379   -8.3732        0.0157    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -7.8787   -8.0634       15.4440   15.6010       25.1380   24.7130
 2    -10.9958  -11.1431       25.9976   25.8067       25.1438   24.7130
 3    -11.1535  -11.1431       15.5267   15.6010       21.9864   21.5023
 4    -10.9806  -10.2057        3.8238    3.0796       16.6881   16.7330
 5     -2.9001   -3.2107       17.8777   18.2079       -3.2467   -3.0796
 6    -34.7009  -34.9408        3.3777    3.2107        9.7662   10.2057
 Full mass-weighted force constant matrix:
 Low frequencies ---  -14.7961   -5.3721   -2.3221   -0.0003    0.0001    0.0004
 Low frequencies ---  108.2764  169.2832  183.7979
 Diagonal vibrational polarizability:
        6.4732974       8.9220413      10.6879565
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    108.2665               169.2804               183.7967
 Red. masses --      4.5072                 1.1782                 1.1188
 Frc consts  --      0.0311                 0.0199                 0.0223
 IR Inten    --      5.5281                 0.1488                 0.0998
 RamAct Fr= 1--      1.0871                 0.2064                 0.0850
  Dep-P Fr= 1--      0.7477                 0.7090                 0.7448
  Dep-U Fr= 1--      0.8557                 0.8298                 0.8537
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.1550                 0.0285                 0.0121
 AlphaG Fr= 1--      0.0007                -0.0010                -0.0008
 Gamma2 Fr= 1--      0.2497                -0.0616                 0.1414
 Delta2 Fr= 1--     -0.0882                 0.0318                 0.0087
 Raman1 Fr= 1--       4.348                  0.826                  0.340
 ROA1   Fr= 1--      21.145                 -4.896                 13.851
 CID1   Fr= 1--       4.863                 -5.930                 40.752
 Raman2 Fr= 1--       1.860                  0.342                  0.145
 ROA2   Fr= 1--       6.697                 -1.733                  3.324
 CID2   Fr= 1--       3.600                 -5.061                 22.911
 Raman3 Fr= 1--       3.721                  0.685                  0.290
 ROA3   Fr= 1--      21.145                 -4.896                 13.851
 CID3   Fr= 1--       5.683                 -7.147                 47.734
 RC180  Fr= 1--       0.711                  0.660                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.00     0.00  -0.01   0.01    -0.00  -0.00   0.01
     2   6    -0.01   0.05  -0.06    -0.01  -0.01   0.02     0.00  -0.00   0.00
     3   6     0.03   0.08  -0.03    -0.03   0.02   0.03    -0.03   0.02   0.02
     4   6     0.13   0.02  -0.02     0.04  -0.02   0.02     0.02  -0.00   0.01
     5   6     0.01   0.03  -0.03    -0.01  -0.01   0.02     0.00  -0.00   0.00
     6   6     0.01  -0.03   0.02    -0.02  -0.01  -0.00    -0.00  -0.01  -0.00
     7   6    -0.03   0.08  -0.12    -0.02   0.00  -0.01    -0.00  -0.00  -0.01
     8   6     0.01   0.08  -0.13     0.02  -0.00  -0.01     0.03   0.00  -0.02
     9   8     0.09  -0.24   0.28    -0.03   0.02  -0.05    -0.01   0.00  -0.02
    10   6    -0.03  -0.07   0.06    -0.01   0.01  -0.03    -0.01  -0.05  -0.01
    11   6    -0.15   0.04   0.01     0.05   0.00   0.02     0.00   0.04   0.03
    12   1    -0.04   0.06  -0.07    -0.10   0.02  -0.03    -0.07   0.03  -0.02
    13   1     0.02   0.16   0.02    -0.06   0.05   0.10    -0.05   0.05   0.06
    14   1     0.25   0.09  -0.06     0.10   0.02   0.00     0.06   0.03   0.01
    15   1     0.17  -0.11   0.02     0.06  -0.10   0.03     0.03  -0.05   0.01
    16   1    -0.12   0.26  -0.10    -0.05   0.03  -0.01    -0.01   0.02  -0.01
    17   1    -0.01   0.05  -0.31    -0.01   0.00  -0.05    -0.00  -0.01  -0.03
    18   1    -0.02  -0.00   0.02    -0.02  -0.01   0.04    -0.00  -0.01   0.01
    19   1     0.06   0.12  -0.22     0.09   0.01  -0.11    -0.28  -0.11   0.41
    20   1    -0.08   0.05  -0.18    -0.08  -0.00  -0.03     0.57  -0.11  -0.03
    21   1     0.05   0.09  -0.08     0.08  -0.02   0.09    -0.20   0.24  -0.47
    22   1    -0.02  -0.21  -0.01    -0.20  -0.32  -0.23    -0.04  -0.10  -0.04
    23   1    -0.04  -0.10   0.21     0.15  -0.03   0.34    -0.04  -0.06   0.05
    24   1    -0.04   0.01   0.03     0.00   0.39  -0.23     0.01  -0.02  -0.05
    25   1    -0.13   0.21   0.03     0.16   0.25   0.22     0.00   0.05   0.03
    26   1    -0.08  -0.07  -0.01     0.29  -0.19  -0.13    -0.00   0.08   0.02
    27   1    -0.33   0.00   0.02    -0.25  -0.05  -0.04     0.02   0.03   0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    217.7226               225.4453               241.2777
 Red. masses --      1.8810                 1.1644                 2.5378
 Frc consts  --      0.0525                 0.0349                 0.0870
 IR Inten    --      0.3150                 0.4051                 1.0520
 RamAct Fr= 1--      0.3376                 0.1623                 0.7534
  Dep-P Fr= 1--      0.7493                 0.7215                 0.5930
  Dep-U Fr= 1--      0.8567                 0.8382                 0.7445
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0022
 Beta2  Fr= 1--      0.0482                 0.0227                 0.0935
 AlphaG Fr= 1--      0.0001                 0.0017                 0.0020
 Gamma2 Fr= 1--      0.0844                -0.0299                 0.1499
 Delta2 Fr= 1--     -0.0463                 0.0509                 0.0523
 Raman1 Fr= 1--       1.350                  0.649                  3.014
 ROA1   Fr= 1--       6.621                 -1.243                 16.066
 CID1   Fr= 1--       4.903                 -1.915                  5.331
 Raman2 Fr= 1--       0.578                  0.272                  1.122
 ROA2   Fr= 1--       2.397                 -1.126                  3.180
 CID2   Fr= 1--       4.144                 -4.138                  2.835
 Raman3 Fr= 1--       1.157                  0.544                  2.244
 ROA3   Fr= 1--       6.621                 -1.243                 16.066
 CID3   Fr= 1--       5.723                 -2.285                  7.161
 RC180  Fr= 1--       0.713                  0.676                  0.489
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01    -0.00  -0.02  -0.01    -0.01   0.01  -0.01
     2   6     0.01   0.00  -0.02    -0.00  -0.01  -0.01     0.00   0.01   0.01
     3   6     0.05  -0.04  -0.04    -0.05   0.01  -0.01    -0.11   0.02   0.00
     4   6    -0.01  -0.01  -0.02     0.01  -0.02  -0.01    -0.03   0.01  -0.03
     5   6    -0.01   0.00  -0.00     0.02  -0.02  -0.02     0.02   0.02  -0.02
     6   6     0.01   0.03   0.00     0.01  -0.00   0.01     0.00   0.02   0.03
     7   6     0.01   0.02  -0.00     0.03  -0.02   0.02     0.04   0.03   0.01
     8   6    -0.09  -0.01   0.05     0.00  -0.00  -0.03     0.26  -0.05   0.06
     9   8     0.02   0.00   0.04    -0.00   0.03   0.02    -0.02   0.09   0.04
    10   6     0.07   0.14   0.08     0.03   0.03   0.03    -0.02  -0.03   0.00
    11   6    -0.06  -0.12  -0.10    -0.04   0.00  -0.00    -0.14  -0.09  -0.09
    12   1     0.11  -0.06   0.03    -0.10   0.02  -0.05    -0.18   0.05  -0.07
    13   1     0.08  -0.07  -0.11    -0.07   0.03   0.05    -0.15   0.04   0.10
    14   1    -0.06  -0.04  -0.03     0.04   0.01  -0.01    -0.01   0.03  -0.00
    15   1    -0.02   0.04  -0.01     0.01  -0.06  -0.03    -0.04  -0.03  -0.08
    16   1    -0.00   0.02  -0.00     0.08  -0.05   0.02     0.06   0.04   0.01
    17   1     0.01   0.02  -0.01     0.03  -0.01   0.07     0.03   0.02   0.01
    18   1     0.01   0.01  -0.02     0.04  -0.03  -0.03     0.04   0.03  -0.05
    19   1    -0.27  -0.04   0.31     0.03   0.01  -0.08     0.32  -0.28  -0.02
    20   1     0.16  -0.01   0.10    -0.04  -0.01  -0.05     0.35  -0.04   0.09
    21   1    -0.24   0.00  -0.18     0.03   0.00   0.00     0.38   0.09   0.15
    22   1     0.04   0.06   0.04    -0.08  -0.22  -0.12     0.02   0.02   0.03
    23   1     0.27   0.15   0.20     0.22   0.01   0.34    -0.07  -0.03  -0.06
    24   1    -0.03   0.36   0.09    -0.01   0.37  -0.08    -0.01  -0.12   0.04
    25   1    -0.02  -0.01  -0.03    -0.18  -0.31  -0.25    -0.14  -0.01  -0.10
    26   1     0.05  -0.36  -0.09    -0.34   0.28   0.17    -0.10  -0.29  -0.03
    27   1    -0.26  -0.13  -0.25     0.35   0.06   0.10    -0.29  -0.10  -0.20
                      7                      8                      9
                      A                      A                      A
 Frequencies --    262.5216               290.7075               300.7249
 Red. masses --      2.2865                 1.9338                 2.9022
 Frc consts  --      0.0928                 0.0963                 0.1546
 IR Inten    --      0.9037                 0.4378                 2.6179
 RamAct Fr= 1--      1.1367                 0.4656                 1.1391
  Dep-P Fr= 1--      0.6201                 0.4046                 0.5862
  Dep-U Fr= 1--      0.7655                 0.5761                 0.7391
 Alpha2 Fr= 1--      0.0027                 0.0034                 0.0035
 Beta2  Fr= 1--      0.1450                 0.0447                 0.1403
 AlphaG Fr= 1--      0.0055                 0.0143                -0.0063
 Gamma2 Fr= 1--     -0.0428                -0.0048                 0.2627
 Delta2 Fr= 1--     -0.0820                -0.0304                 0.1792
 Raman1 Fr= 1--       4.547                  1.862                  4.556
 ROA1   Fr= 1--      -6.733                 -1.435                 30.952
 CID1   Fr= 1--      -1.481                 -0.771                  6.793
 Raman2 Fr= 1--       1.740                  0.536                  1.684
 ROA2   Fr= 1--      -0.371                  0.128                  4.871
 CID2   Fr= 1--      -0.213                  0.239                  2.893
 Raman3 Fr= 1--       3.480                  1.073                  3.368
 ROA3   Fr= 1--      -6.733                 -1.435                 30.952
 CID3   Fr= 1--      -1.935                 -1.338                  9.190
 RC180  Fr= 1--       0.531                  0.152                  0.478
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01    -0.01   0.02  -0.02    -0.06  -0.02   0.02
     2   6    -0.01   0.03  -0.00     0.02   0.04  -0.04    -0.06  -0.02  -0.00
     3   6     0.04   0.06   0.02     0.11   0.00  -0.05     0.18  -0.10  -0.02
     4   6     0.13   0.01   0.06    -0.10   0.08   0.02     0.03  -0.04   0.02
     5   6    -0.02   0.00   0.05     0.00   0.02   0.01    -0.04  -0.02   0.02
     6   6    -0.02   0.01  -0.04     0.03   0.02  -0.02    -0.08   0.04   0.00
     7   6    -0.06   0.04  -0.06     0.03  -0.04   0.08    -0.05   0.03  -0.02
     8   6    -0.01  -0.04   0.19     0.01   0.01   0.07     0.11  -0.01  -0.10
     9   8     0.01  -0.08  -0.03     0.05  -0.04  -0.01    -0.11   0.10   0.15
    10   6    -0.06   0.03  -0.12    -0.06  -0.11  -0.06    -0.08   0.06  -0.07
    11   6     0.02  -0.06  -0.06    -0.08   0.04  -0.01     0.08  -0.03   0.01
    12   1    -0.02   0.06  -0.03     0.29   0.02   0.09     0.37  -0.19   0.19
    13   1     0.04   0.16   0.07     0.19  -0.09  -0.24     0.31  -0.12  -0.28
    14   1     0.25   0.08   0.01    -0.27  -0.03   0.07    -0.05  -0.09  -0.03
    15   1     0.18  -0.12   0.13    -0.14   0.28   0.03     0.04   0.05   0.10
    16   1    -0.15   0.08  -0.06     0.08  -0.16   0.07    -0.08   0.03  -0.03
    17   1    -0.02   0.05  -0.14     0.00  -0.02   0.21    -0.01   0.04  -0.04
    18   1    -0.06  -0.03   0.12     0.02   0.02  -0.01    -0.05  -0.04   0.04
    19   1    -0.04  -0.16   0.24    -0.01  -0.06   0.10     0.13  -0.10  -0.12
    20   1     0.03   0.11   0.33     0.04   0.08   0.14     0.24  -0.12  -0.17
    21   1    -0.03  -0.14   0.22    -0.00  -0.05   0.08     0.17   0.19  -0.13
    22   1    -0.14   0.02  -0.14    -0.17  -0.38  -0.22    -0.16   0.04  -0.09
    23   1    -0.08   0.03  -0.13    -0.06  -0.15   0.23    -0.01   0.07  -0.05
    24   1     0.00   0.03  -0.20     0.01   0.10  -0.24    -0.06   0.14  -0.14
    25   1    -0.07  -0.31  -0.20    -0.08   0.10  -0.02     0.08  -0.17   0.03
    26   1    -0.17   0.08   0.06    -0.07   0.02  -0.00     0.04   0.08  -0.00
    27   1     0.29  -0.01  -0.07    -0.14   0.03   0.02     0.23  -0.00   0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    384.8211               395.4766               415.3502
 Red. masses --      2.4644                 2.4291                 2.1393
 Frc consts  --      0.2150                 0.2238                 0.2175
 IR Inten    --      0.9753                 0.2169                 1.6814
 RamAct Fr= 1--      0.5840                 2.0825                 0.5978
  Dep-P Fr= 1--      0.4154                 0.1828                 0.6538
  Dep-U Fr= 1--      0.5869                 0.3091                 0.7907
 Alpha2 Fr= 1--      0.0041                 0.0296                 0.0010
 Beta2  Fr= 1--      0.0571                 0.1073                 0.0788
 AlphaG Fr= 1--     -0.0165                -0.0174                -0.0073
 Gamma2 Fr= 1--     -0.2085                -0.2797                 0.2707
 Delta2 Fr= 1--     -0.0546                -0.2448                 0.1548
 Raman1 Fr= 1--       2.336                  8.330                  2.391
 ROA1   Fr= 1--     -21.767                -34.689                 30.936
 CID1   Fr= 1--      -9.318                 -4.164                 12.937
 Raman2 Fr= 1--       0.686                  1.287                  0.945
 ROA2   Fr= 1--      -4.568                 -4.755                  5.258
 CID2   Fr= 1--      -6.663                 -3.694                  5.562
 Raman3 Fr= 1--       1.371                  2.575                  1.891
 ROA3   Fr= 1--     -21.767                -34.689                 30.936
 CID3   Fr= 1--     -15.875                -13.474                 16.362
 RC180  Fr= 1--       0.174                 -0.382                  0.581
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.09    -0.00   0.02  -0.01    -0.03   0.07   0.03
     2   6     0.06  -0.00   0.13    -0.02   0.05  -0.03    -0.02   0.06   0.03
     3   6    -0.01  -0.09   0.08    -0.02   0.06  -0.04     0.02  -0.05  -0.04
     4   6    -0.08  -0.01  -0.04    -0.05   0.06  -0.02     0.11  -0.07  -0.11
     5   6    -0.00   0.08   0.01    -0.04   0.04  -0.03    -0.04   0.08  -0.04
     6   6     0.05   0.02   0.04    -0.05   0.03  -0.03    -0.03   0.01   0.04
     7   6    -0.03   0.13  -0.04    -0.06   0.02  -0.04     0.00  -0.05   0.14
     8   6    -0.00   0.09  -0.04     0.01   0.03   0.03     0.02   0.08   0.01
     9   8     0.07  -0.03  -0.07    -0.04  -0.00   0.03    -0.01  -0.06  -0.04
    10   6    -0.04  -0.04  -0.05     0.05  -0.16   0.15    -0.07   0.02   0.02
    11   6    -0.00  -0.13   0.01     0.18  -0.08  -0.06     0.01  -0.01  -0.02
    12   1    -0.01  -0.13   0.10     0.01   0.07  -0.01    -0.04  -0.16  -0.04
    13   1    -0.04  -0.21   0.06    -0.01   0.04  -0.06     0.02  -0.00  -0.03
    14   1    -0.17  -0.07  -0.06    -0.06   0.05  -0.01     0.29   0.02  -0.30
    15   1    -0.12   0.06  -0.10    -0.05   0.06  -0.02     0.20  -0.30   0.00
    16   1    -0.10   0.27  -0.02    -0.06  -0.01  -0.05     0.28  -0.30   0.13
    17   1    -0.02   0.09  -0.22    -0.06   0.03  -0.02    -0.12  -0.04   0.48
    18   1    -0.02   0.17  -0.04    -0.08   0.07  -0.02    -0.04   0.13  -0.08
    19   1     0.00   0.29  -0.05     0.01  -0.05   0.03     0.03   0.09  -0.00
    20   1    -0.06  -0.07  -0.20     0.04   0.08   0.08     0.04   0.04  -0.03
    21   1    -0.03   0.16  -0.12     0.02   0.02   0.06     0.03   0.15  -0.01
    22   1    -0.18  -0.13  -0.12     0.25  -0.34   0.08    -0.03  -0.01   0.02
    23   1    -0.12  -0.06   0.01    -0.04  -0.20   0.38    -0.14   0.01   0.03
    24   1     0.09  -0.02  -0.22    -0.02  -0.13   0.22    -0.04  -0.04   0.02
    25   1    -0.08  -0.31  -0.12     0.21  -0.31   0.05     0.04  -0.08   0.04
    26   1    -0.13  -0.19   0.17     0.20  -0.02  -0.11     0.05  -0.09  -0.03
    27   1     0.12  -0.08  -0.15     0.37  -0.02  -0.18     0.01   0.01  -0.15
                     13                     14                     15
                      A                      A                      A
 Frequencies --    476.5944               524.9869               560.9878
 Red. masses --      3.2781                 2.9378                 4.2168
 Frc consts  --      0.4387                 0.4771                 0.7819
 IR Inten    --      0.9023                 6.3654                 3.2843
 RamAct Fr= 1--      2.6751                 0.9063                 7.4225
  Dep-P Fr= 1--      0.5852                 0.3967                 0.1853
  Dep-U Fr= 1--      0.7383                 0.5681                 0.3126
 Alpha2 Fr= 1--      0.0082                 0.0068                 0.1048
 Beta2  Fr= 1--      0.3292                 0.0858                 0.3867
 AlphaG Fr= 1--     -0.0123                 0.0057                -0.1338
 Gamma2 Fr= 1--     -1.1537                 0.6580                -0.4480
 Delta2 Fr= 1--     -0.0468                 0.0856                 0.3498
 Raman1 Fr= 1--      10.701                  3.625                 29.690
 ROA1   Fr= 1--    -112.252                 65.909                -31.811
 CID1   Fr= 1--     -10.490                 18.181                 -1.071
 Raman2 Fr= 1--       3.950                  1.030                  4.641
 ROA2   Fr= 1--     -27.314                 15.108                -13.550
 CID2   Fr= 1--      -6.914                 14.672                 -2.920
 Raman3 Fr= 1--       7.901                  2.059                  9.282
 ROA3   Fr= 1--    -112.252                 65.909                -31.811
 CID3   Fr= 1--     -14.208                 32.004                 -3.427
 RC180  Fr= 1--       0.477                  0.136                 -0.375
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.08  -0.08     0.03   0.08   0.09    -0.06   0.03  -0.08
     2   6     0.03  -0.02   0.07     0.12  -0.08  -0.05     0.03  -0.01  -0.09
     3   6     0.05  -0.04   0.08     0.02   0.04  -0.02    -0.05  -0.10  -0.06
     4   6     0.04   0.00   0.03     0.02   0.06  -0.02    -0.06  -0.18   0.12
     5   6    -0.05   0.05   0.02    -0.09   0.13   0.00    -0.14  -0.02   0.15
     6   6    -0.06  -0.10   0.12     0.10  -0.06  -0.07     0.13   0.12  -0.01
     7   6    -0.09  -0.06   0.02    -0.05  -0.12  -0.06    -0.10   0.11   0.13
     8   6    -0.02   0.01   0.01    -0.04  -0.12  -0.04     0.01  -0.06  -0.05
     9   8    -0.12   0.04   0.01     0.04   0.14   0.10     0.19   0.06   0.00
    10   6     0.19  -0.07  -0.07    -0.05   0.00  -0.00    -0.03  -0.02   0.02
    11   6    -0.06   0.11  -0.16    -0.01  -0.04   0.05     0.03   0.09  -0.14
    12   1     0.12  -0.11   0.17    -0.09   0.17  -0.17    -0.06   0.03  -0.13
    13   1     0.10  -0.06  -0.03    -0.07   0.04   0.16    -0.08  -0.07   0.02
    14   1     0.12   0.04  -0.11     0.08   0.09  -0.13     0.14  -0.08  -0.07
    15   1     0.10  -0.11   0.11     0.07  -0.03   0.07     0.04  -0.40   0.29
    16   1    -0.10   0.15   0.06     0.00  -0.33  -0.09    -0.35   0.14   0.11
    17   1    -0.15  -0.14  -0.16    -0.27  -0.21   0.10    -0.03   0.10  -0.06
    18   1    -0.14   0.10   0.07    -0.20   0.23   0.03    -0.03  -0.06   0.07
    19   1    -0.02   0.14   0.00    -0.10   0.05   0.03     0.02  -0.07  -0.07
    20   1    -0.08  -0.04  -0.06    -0.14  -0.07  -0.02     0.02  -0.07  -0.05
    21   1    -0.05  -0.00  -0.03    -0.15  -0.31  -0.10     0.02  -0.05  -0.04
    22   1     0.31  -0.19  -0.11    -0.16  -0.05  -0.05     0.13  -0.11   0.00
    23   1     0.05  -0.11   0.05    -0.21  -0.02  -0.01    -0.15  -0.04   0.11
    24   1     0.21  -0.13  -0.06     0.11  -0.08  -0.15    -0.07  -0.09   0.09
    25   1    -0.15   0.20  -0.36    -0.02  -0.12   0.03     0.06   0.10  -0.08
    26   1    -0.18   0.01   0.01    -0.02  -0.17   0.13     0.06   0.21  -0.22
    27   1    -0.15   0.09  -0.14    -0.02  -0.01  -0.11     0.08   0.09  -0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    576.5128               619.7480               652.8572
 Red. masses --      3.6301                 2.6461                 3.7551
 Frc consts  --      0.7109                 0.5988                 0.9430
 IR Inten    --      1.0964                 1.4566                 2.8125
 RamAct Fr= 1--      2.9371                 2.6658                39.1500
  Dep-P Fr= 1--      0.4876                 0.5439                 0.0162
  Dep-U Fr= 1--      0.6556                 0.7046                 0.0319
 Alpha2 Fr= 1--      0.0153                 0.0105                 0.8377
 Beta2  Fr= 1--      0.3209                 0.3130                 0.2079
 AlphaG Fr= 1--     -0.0267                -0.0847                 0.4555
 Gamma2 Fr= 1--      0.4481                 0.2880                -0.4472
 Delta2 Fr= 1--     -0.5770                 0.1887                 0.1290
 Raman1 Fr= 1--      11.749                 10.663                156.600
 ROA1   Fr= 1--      24.553                 33.687                -38.800
 CID1   Fr= 1--       2.090                  3.159                 -0.248
 Raman2 Fr= 1--       3.851                  3.757                  2.494
 ROA2   Fr= 1--      15.371                  5.402                -11.764
 CID2   Fr= 1--       3.991                  1.438                 -4.716
 Raman3 Fr= 1--       7.702                  7.513                  4.989
 ROA3   Fr= 1--      24.553                 33.687                -38.800
 CID3   Fr= 1--       3.188                  4.484                 -7.777
 RC180  Fr= 1--       0.311                  0.409                 -0.936
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.06   0.06    -0.03  -0.05  -0.01    -0.04   0.05  -0.02
     2   6     0.06   0.10  -0.05     0.04   0.06  -0.05     0.03   0.04   0.07
     3   6    -0.04  -0.03  -0.11     0.03   0.05  -0.13    -0.03  -0.08   0.11
     4   6    -0.06  -0.13  -0.01    -0.01  -0.01  -0.06    -0.01  -0.08   0.04
     5   6    -0.06  -0.08   0.04    -0.05  -0.06  -0.03     0.05  -0.09   0.01
     6   6    -0.06   0.12  -0.12     0.09  -0.14   0.19     0.06  -0.04  -0.11
     7   6    -0.10  -0.04  -0.01    -0.04  -0.08   0.05     0.04  -0.19  -0.18
     8   6     0.04   0.17   0.05     0.02   0.11   0.04     0.04   0.21   0.09
     9   8    -0.02   0.01   0.07     0.01   0.08  -0.03     0.03   0.05   0.05
    10   6     0.19  -0.03  -0.09    -0.05   0.01   0.01    -0.13   0.03   0.06
    11   6    -0.02  -0.06   0.14     0.01  -0.05   0.05     0.00   0.09  -0.13
    12   1    -0.13   0.03  -0.22     0.04   0.03  -0.11    -0.04  -0.14   0.13
    13   1    -0.12  -0.03   0.02     0.02   0.03  -0.13    -0.04  -0.13   0.10
    14   1    -0.00  -0.09  -0.02     0.03   0.01  -0.04    -0.10  -0.12   0.13
    15   1    -0.04  -0.15   0.05     0.02  -0.00   0.03    -0.07   0.01  -0.07
    16   1    -0.21  -0.27  -0.06    -0.12   0.50   0.14    -0.07  -0.34  -0.22
    17   1     0.02   0.07   0.16    -0.15  -0.29  -0.53     0.03  -0.18  -0.10
    18   1    -0.14   0.08  -0.01    -0.04  -0.05  -0.05    -0.01  -0.12   0.09
    19   1     0.02   0.14   0.07     0.00   0.08   0.07     0.01   0.35   0.12
    20   1     0.05   0.23   0.10     0.01   0.20   0.12    -0.02   0.18   0.05
    21   1     0.02   0.13   0.06     0.00   0.02   0.07    -0.01   0.19   0.04
    22   1     0.03   0.03  -0.09    -0.09   0.05   0.03    -0.04  -0.00   0.06
    23   1     0.18  -0.01  -0.19     0.01   0.02  -0.03    -0.14   0.02   0.12
    24   1     0.28  -0.05  -0.19    -0.07   0.04   0.01    -0.19   0.04   0.12
    25   1    -0.07   0.10   0.02     0.04  -0.04   0.12     0.03   0.03  -0.08
    26   1    -0.08  -0.07   0.20     0.04   0.05  -0.03     0.04   0.09  -0.17
    27   1    -0.12  -0.10   0.26     0.05  -0.05   0.12     0.04   0.11  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    714.5170               756.3928               836.5770
 Red. masses --      3.0185                 2.0615                 1.5109
 Frc consts  --      0.9079                 0.6949                 0.6230
 IR Inten    --      0.5088                10.7057                 0.4529
 RamAct Fr= 1--      6.4265                 3.4613                 2.0237
  Dep-P Fr= 1--      0.4608                 0.6798                 0.1851
  Dep-U Fr= 1--      0.6309                 0.8094                 0.3124
 Alpha2 Fr= 1--      0.0377                 0.0043                 0.0286
 Beta2  Fr= 1--      0.6757                 0.4669                 0.1054
 AlphaG Fr= 1--      0.0597                 0.0134                 0.0979
 Gamma2 Fr= 1--      2.4736                 0.1118                -0.9431
 Delta2 Fr= 1--      0.9497                 0.0064                -0.2846
 Raman1 Fr= 1--      25.706                 13.845                  8.095
 ROA1   Fr= 1--     267.854                 10.937                -99.643
 CID1   Fr= 1--      10.420                  0.790                -12.310
 Raman2 Fr= 1--       8.108                  5.603                  1.264
 ROA2   Fr= 1--      51.769                  2.632                -20.357
 CID2   Fr= 1--       6.385                  0.470                -16.100
 Raman3 Fr= 1--      16.217                 11.206                  2.529
 ROA3   Fr= 1--     267.854                 10.937                -99.643
 CID3   Fr= 1--      16.517                  0.976                -39.401
 RC180  Fr= 1--       0.262                  0.619                 -0.375
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.18   0.12    -0.03  -0.06  -0.04     0.01   0.01   0.02
     2   6     0.02   0.03  -0.10     0.20  -0.04   0.03    -0.10   0.02   0.01
     3   6    -0.01  -0.02  -0.13     0.09  -0.02  -0.01     0.04  -0.04  -0.02
     4   6    -0.02  -0.11   0.04     0.03   0.02  -0.03     0.09   0.01  -0.06
     5   6     0.13  -0.02   0.10    -0.03  -0.05  -0.03     0.04   0.01   0.05
     6   6    -0.09  -0.05  -0.02    -0.07   0.02   0.02     0.03   0.03   0.01
     7   6     0.10  -0.01   0.04    -0.04   0.08   0.05    -0.08  -0.05   0.02
     8   6    -0.00  -0.03  -0.03     0.05   0.01   0.02    -0.04  -0.02  -0.00
     9   8    -0.12  -0.04  -0.00    -0.07  -0.02   0.02     0.04   0.01  -0.01
    10   6    -0.05   0.04   0.05    -0.05  -0.01   0.02     0.02  -0.01  -0.00
    11   6     0.03   0.05  -0.02     0.00   0.02  -0.06     0.00   0.01  -0.01
    12   1    -0.06   0.07  -0.22    -0.24   0.15  -0.39    -0.30  -0.19  -0.22
    13   1    -0.04   0.07  -0.03    -0.14   0.02   0.44    -0.03   0.25   0.25
    14   1    -0.11  -0.16   0.17    -0.20  -0.12  -0.01    -0.35  -0.26   0.01
    15   1    -0.08   0.04  -0.03    -0.01   0.28   0.01    -0.03   0.48  -0.13
    16   1    -0.11   0.28   0.07     0.04   0.01   0.05    -0.19  -0.04   0.01
    17   1     0.28   0.03  -0.26     0.03   0.14   0.16    -0.15  -0.11  -0.05
    18   1     0.15   0.10  -0.00     0.03  -0.15  -0.01    -0.01  -0.02   0.12
    19   1    -0.05   0.01   0.02    -0.03   0.33   0.12     0.03  -0.21  -0.11
    20   1    -0.06   0.04   0.02    -0.12  -0.01  -0.03     0.09  -0.08  -0.04
    21   1    -0.08  -0.18  -0.06    -0.12  -0.20  -0.11     0.10   0.21   0.07
    22   1    -0.14  -0.08  -0.03    -0.07   0.03   0.03     0.01  -0.00  -0.00
    23   1    -0.35  -0.00   0.09     0.01   0.00  -0.00     0.03  -0.01   0.01
    24   1     0.17  -0.11  -0.13    -0.08   0.02   0.05     0.02  -0.01  -0.00
    25   1    -0.02  -0.07  -0.10     0.02   0.05  -0.03    -0.01   0.00  -0.03
    26   1    -0.02  -0.16   0.13     0.02   0.10  -0.12    -0.01  -0.01   0.02
    27   1     0.02   0.10  -0.28     0.01   0.00   0.03    -0.00   0.02  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    862.6092               873.0425               926.1076
 Red. masses --      2.6506                 2.2011                 2.5982
 Frc consts  --      1.1620                 0.9885                 1.3129
 IR Inten    --      2.5908                 0.9058                 1.5820
 RamAct Fr= 1--      5.3893                11.6325                 7.7556
  Dep-P Fr= 1--      0.1347                 0.2047                 0.1902
  Dep-U Fr= 1--      0.2374                 0.3398                 0.3196
 Alpha2 Fr= 1--      0.0866                 0.1560                 0.1081
 Beta2  Fr= 1--      0.2132                 0.6588                 0.4131
 AlphaG Fr= 1--      0.0216                -0.2917                -0.0140
 Gamma2 Fr= 1--     -0.9187                -0.2679                 3.2884
 Delta2 Fr= 1--     -0.5940                -0.1231                 0.3735
 Raman1 Fr= 1--      21.557                 46.530                 31.022
 ROA1   Fr= 1--    -107.200                -29.660                327.636
 CID1   Fr= 1--      -4.973                 -0.637                 10.561
 Raman2 Fr= 1--       2.558                  7.906                  4.958
 ROA2   Fr= 1--     -17.297                 -5.445                 75.934
 CID2   Fr= 1--      -6.761                 -0.689                 15.317
 Raman3 Fr= 1--       5.117                 15.812                  9.915
 ROA3   Fr= 1--    -107.200                -29.660                327.636
 CID3   Fr= 1--     -20.951                 -1.876                 33.044
 RC180  Fr= 1--      -0.525                 -0.320                 -0.361
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.05     0.02   0.00   0.00     0.06   0.01   0.05
     2   6     0.04   0.05  -0.13     0.03  -0.03   0.11     0.02   0.04  -0.07
     3   6    -0.03  -0.12   0.11    -0.08   0.01  -0.12     0.04   0.03   0.21
     4   6     0.00   0.05  -0.05     0.03   0.15  -0.11    -0.02   0.02  -0.12
     5   6     0.11   0.18   0.14     0.08  -0.08   0.09    -0.02  -0.16  -0.10
     6   6    -0.02  -0.05  -0.08    -0.01   0.05  -0.04    -0.01   0.08  -0.01
     7   6     0.01  -0.01   0.07    -0.07  -0.05   0.06    -0.08  -0.03   0.08
     8   6     0.02   0.03  -0.05     0.01  -0.04   0.04    -0.01  -0.01  -0.08
     9   8    -0.05  -0.00   0.02     0.01  -0.00   0.02     0.03   0.00   0.01
    10   6    -0.01  -0.02  -0.02    -0.03   0.00   0.01    -0.02   0.03   0.05
    11   6    -0.02  -0.05   0.01     0.01   0.01  -0.01     0.03   0.04  -0.01
    12   1    -0.04  -0.07   0.07     0.11  -0.07   0.08     0.06   0.06   0.22
    13   1    -0.06  -0.22   0.12    -0.05  -0.25  -0.32     0.04  -0.09   0.14
    14   1     0.02   0.04  -0.30     0.23   0.29  -0.02     0.06   0.06  -0.12
    15   1    -0.03  -0.10  -0.23     0.04  -0.08  -0.21    -0.02  -0.12  -0.20
    16   1    -0.27   0.08   0.06    -0.43  -0.08   0.02    -0.20   0.09   0.09
    17   1    -0.06  -0.10  -0.15     0.07   0.01  -0.06     0.07   0.02  -0.09
    18   1     0.19   0.09   0.14     0.14  -0.26   0.18     0.06  -0.24  -0.14
    19   1    -0.06  -0.08   0.08     0.03   0.23  -0.00    -0.06  -0.34   0.00
    20   1     0.01   0.31   0.20    -0.08  -0.26  -0.18     0.09   0.29   0.21
    21   1    -0.05  -0.25   0.01    -0.03   0.07  -0.08     0.01  -0.21   0.07
    22   1     0.05   0.05   0.03    -0.04   0.01   0.02    -0.19  -0.02   0.00
    23   1     0.19   0.00  -0.03    -0.02   0.01   0.01    -0.19   0.01  -0.01
    24   1    -0.14   0.09   0.08    -0.03   0.01   0.01     0.18  -0.07  -0.13
    25   1     0.04   0.04   0.13    -0.02   0.04  -0.08    -0.03  -0.01  -0.14
    26   1     0.03   0.17  -0.15    -0.02  -0.01   0.03    -0.02  -0.16   0.15
    27   1     0.05  -0.08   0.24    -0.02   0.01  -0.02    -0.04   0.06  -0.19
                     25                     26                     27
                      A                      A                      A
 Frequencies --    943.5648               947.6651               960.4160
 Red. masses --      1.7467                 2.1603                 1.6957
 Frc consts  --      0.9162                 1.1431                 0.9215
 IR Inten    --      3.5109                 2.9669                 2.3353
 RamAct Fr= 1--      3.8926                 3.5729                 7.6083
  Dep-P Fr= 1--      0.4905                 0.7367                 0.7366
  Dep-U Fr= 1--      0.6581                 0.8484                 0.8483
 Alpha2 Fr= 1--      0.0201                 0.0008                 0.0017
 Beta2  Fr= 1--      0.4270                 0.5052                 1.0757
 AlphaG Fr= 1--     -0.0023                 0.0117                 0.0166
 Gamma2 Fr= 1--      0.6699                 0.6389                -0.7641
 Delta2 Fr= 1--      1.3698                 1.2792                -2.2567
 Raman1 Fr= 1--      15.570                 14.292                 30.433
 ROA1   Fr= 1--     108.143                102.266               -145.565
 CID1   Fr= 1--       6.945                  7.156                 -4.783
 Raman2 Fr= 1--       5.124                  6.063                 12.909
 ROA2   Fr= 1--       5.119                  5.099                 -0.283
 CID2   Fr= 1--       0.999                  0.841                 -0.022
 Raman3 Fr= 1--      10.247                 12.125                 25.817
 ROA3   Fr= 1--     108.143                102.266               -145.565
 CID3   Fr= 1--      10.553                  8.434                 -5.638
 RC180  Fr= 1--       0.316                  0.697                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.00     0.05  -0.09   0.05    -0.03   0.08  -0.08
     2   6    -0.03  -0.02   0.05     0.00  -0.00   0.04     0.01  -0.01   0.02
     3   6     0.09   0.03   0.02     0.02   0.15   0.01     0.03   0.08   0.04
     4   6    -0.08   0.01  -0.03    -0.04  -0.15  -0.04    -0.02  -0.08  -0.03
     5   6    -0.05   0.04  -0.01     0.10   0.07   0.01     0.04  -0.01  -0.02
     6   6    -0.02   0.06  -0.09     0.01  -0.02   0.00     0.01  -0.01  -0.03
     7   6     0.11  -0.10   0.05    -0.09   0.03   0.01    -0.04   0.01   0.03
     8   6    -0.03  -0.01   0.04     0.00  -0.02   0.01     0.03  -0.02   0.01
     9   8    -0.00  -0.02   0.01    -0.01   0.00   0.00     0.00   0.01   0.01
    10   6    -0.04  -0.02  -0.00    -0.05  -0.05   0.05    -0.02   0.06  -0.09
    11   6     0.03   0.00  -0.01     0.03   0.01  -0.09     0.01  -0.05   0.09
    12   1    -0.08   0.13  -0.17     0.17   0.15   0.14     0.04   0.05   0.07
    13   1    -0.01   0.10   0.24     0.14   0.23  -0.18     0.08   0.18   0.00
    14   1     0.05   0.06  -0.31    -0.04  -0.15   0.06    -0.09  -0.13  -0.00
    15   1     0.05  -0.14   0.25    -0.11  -0.09  -0.21    -0.05  -0.01  -0.09
    16   1    -0.19   0.22   0.07    -0.16  -0.16  -0.03    -0.16  -0.04   0.01
    17   1     0.32  -0.06  -0.32    -0.25  -0.04   0.11    -0.08  -0.03  -0.02
    18   1    -0.08   0.23  -0.13     0.14   0.31  -0.22     0.22  -0.08  -0.14
    19   1     0.05  -0.01  -0.08     0.00   0.04   0.01    -0.01   0.16   0.05
    20   1     0.04  -0.19  -0.11    -0.03  -0.07  -0.04    -0.07  -0.06  -0.04
    21   1     0.07   0.24   0.03    -0.01  -0.02  -0.02    -0.06  -0.07  -0.07
    22   1     0.02   0.06   0.05    -0.32   0.17   0.12     0.57  -0.18  -0.12
    23   1     0.14   0.00  -0.01     0.23   0.02  -0.15    -0.18  -0.02   0.28
    24   1    -0.17   0.07   0.11    -0.05   0.13  -0.03    -0.26  -0.07   0.25
    25   1    -0.04   0.09  -0.16    -0.00   0.18  -0.17    -0.04  -0.01  -0.00
    26   1    -0.05  -0.05   0.10    -0.03   0.13  -0.09    -0.06  -0.12   0.20
    27   1    -0.06  -0.02   0.02    -0.02  -0.03   0.11    -0.07  -0.06   0.08
                     28                     29                     30
                      A                      A                      A
 Frequencies --    966.1102              1002.2451              1031.9535
 Red. masses --      1.5766                 1.7333                 1.4610
 Frc consts  --      0.8670                 1.0258                 0.9167
 IR Inten    --      3.3154                 0.0640                 0.7678
 RamAct Fr= 1--      6.4810                 3.8572                 2.7912
  Dep-P Fr= 1--      0.7246                 0.6390                 0.7260
  Dep-U Fr= 1--      0.8403                 0.7798                 0.8413
 Alpha2 Fr= 1--      0.0028                 0.0077                 0.0011
 Beta2  Fr= 1--      0.9077                 0.5013                 0.3914
 AlphaG Fr= 1--     -0.0027                 0.0283                -0.0017
 Gamma2 Fr= 1--      0.0151                 0.7472                -0.5142
 Delta2 Fr= 1--     -2.1412                 0.5152                -0.6810
 Raman1 Fr= 1--      25.924                 15.429                 11.165
 ROA1   Fr= 1--     -67.066                 88.214                -71.157
 CID1   Fr= 1--      -2.587                  5.717                 -6.373
 Raman2 Fr= 1--      10.892                  6.015                  4.696
 ROA2   Fr= 1--      17.494                 13.810                 -6.893
 CID2   Fr= 1--       1.606                  2.296                 -1.468
 Raman3 Fr= 1--      21.785                 12.031                  9.393
 ROA3   Fr= 1--     -67.066                 88.214                -71.157
 CID3   Fr= 1--      -3.079                  7.332                 -7.576
 RC180  Fr= 1--       0.681                  0.560                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.04   0.03     0.02  -0.00  -0.01    -0.01  -0.01   0.02
     2   6    -0.00  -0.01   0.02     0.01  -0.00  -0.03    -0.01  -0.00   0.01
     3   6     0.03   0.04   0.02    -0.01  -0.09  -0.04    -0.01   0.04  -0.01
     4   6    -0.03  -0.03  -0.02     0.02   0.03   0.12    -0.00  -0.02  -0.05
     5   6     0.02  -0.01  -0.01     0.08   0.03  -0.12    -0.06  -0.02   0.09
     6   6     0.00   0.00  -0.04    -0.00   0.02  -0.01     0.02  -0.04   0.02
     7   6     0.00  -0.02   0.03    -0.08   0.00   0.03     0.03   0.03  -0.03
     8   6     0.01  -0.01   0.02    -0.01   0.02  -0.00     0.03   0.01  -0.04
     9   8     0.00   0.00   0.01    -0.00   0.00   0.00     0.01   0.01  -0.01
    10   6     0.10  -0.04  -0.03    -0.04  -0.05  -0.02    -0.02  -0.07  -0.05
    11   6    -0.10   0.05   0.02     0.04   0.06   0.05     0.04   0.08   0.03
    12   1     0.02   0.07   0.01    -0.01   0.07  -0.12    -0.02  -0.12   0.06
    13   1     0.04   0.08   0.03    -0.10  -0.19   0.07     0.04   0.09  -0.08
    14   1    -0.00  -0.02  -0.06     0.13   0.12   0.26    -0.08  -0.08  -0.17
    15   1    -0.02  -0.06  -0.01     0.04  -0.02   0.15    -0.02   0.04  -0.06
    16   1    -0.14   0.04   0.03    -0.08   0.01   0.03     0.08  -0.05  -0.03
    17   1     0.02  -0.05  -0.12    -0.27  -0.12  -0.03     0.18   0.15   0.10
    18   1     0.15  -0.07  -0.10     0.24   0.02  -0.27    -0.20  -0.07   0.27
    19   1     0.01   0.14   0.02     0.01  -0.05  -0.02    -0.06   0.01   0.09
    20   1    -0.05  -0.10  -0.07     0.04   0.03   0.02    -0.04   0.17   0.10
    21   1    -0.03   0.01  -0.05     0.03   0.06   0.03    -0.05  -0.22  -0.03
    22   1    -0.05   0.06  -0.00    -0.00   0.13   0.08     0.07   0.14   0.08
    23   1     0.22  -0.01  -0.16     0.30   0.00  -0.07     0.37  -0.02  -0.06
    24   1     0.14   0.04  -0.11    -0.25   0.14   0.13    -0.29   0.16   0.15
    25   1     0.08  -0.40   0.46    -0.05  -0.11  -0.11    -0.05  -0.10  -0.14
    26   1     0.19   0.01  -0.25    -0.02  -0.29   0.27    -0.02  -0.26   0.25
    27   1     0.21   0.19  -0.38    -0.06   0.10  -0.31    -0.06   0.12  -0.32
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1040.4498              1057.6880              1101.4150
 Red. masses --      1.9172                 2.2179                 1.3377
 Frc consts  --      1.2228                 1.4619                 0.9561
 IR Inten    --     26.6679                33.4364                 3.1755
 RamAct Fr= 1--      4.2736                 2.2895                 2.9753
  Dep-P Fr= 1--      0.6913                 0.6207                 0.6884
  Dep-U Fr= 1--      0.8175                 0.7659                 0.8154
 Alpha2 Fr= 1--      0.0044                 0.0054                 0.0032
 Beta2  Fr= 1--      0.5823                 0.2923                 0.4044
 AlphaG Fr= 1--      0.0213                -0.0279                -0.0042
 Gamma2 Fr= 1--      0.5173                -0.6572                -1.3946
 Delta2 Fr= 1--      0.5069                 0.7262                -0.7786
 Raman1 Fr= 1--      17.095                  9.158                 11.901
 ROA1   Fr= 1--      65.881                -39.859               -158.791
 CID1   Fr= 1--       3.854                 -4.352                -13.342
 Raman2 Fr= 1--       6.987                  3.507                  4.852
 ROA2   Fr= 1--       8.360                -21.583                -27.241
 CID2   Fr= 1--       1.196                 -6.154                 -5.614
 Raman3 Fr= 1--      13.975                  7.014                  9.705
 ROA3   Fr= 1--      65.881                -39.859               -158.791
 CID3   Fr= 1--       4.714                 -5.682                -16.362
 RC180  Fr= 1--       0.635                  0.532                  0.631
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.00   0.01  -0.02     0.02   0.01  -0.03
     2   6     0.01   0.07   0.01     0.05   0.06  -0.01    -0.03   0.01   0.06
     3   6    -0.07  -0.01   0.02     0.08  -0.01  -0.01     0.02  -0.01  -0.03
     4   6     0.07  -0.02   0.02    -0.07  -0.03  -0.02    -0.05   0.03   0.01
     5   6    -0.01   0.00  -0.06     0.09  -0.00   0.06     0.04  -0.01  -0.00
     6   6    -0.05   0.17   0.04    -0.04   0.12   0.18     0.00   0.01   0.10
     7   6    -0.00  -0.12   0.01    -0.02  -0.07  -0.12     0.00  -0.01  -0.05
     8   6     0.08  -0.07  -0.03    -0.05  -0.04  -0.01     0.03  -0.00  -0.06
     9   8     0.03  -0.02  -0.01    -0.00  -0.02  -0.03     0.00  -0.00  -0.02
    10   6    -0.02  -0.02  -0.01    -0.02   0.01  -0.03    -0.01   0.01   0.01
    11   6    -0.02  -0.02   0.00    -0.03   0.01   0.02    -0.02  -0.01   0.00
    12   1     0.01  -0.17   0.16     0.12   0.47  -0.22    -0.15  -0.28  -0.04
    13   1     0.03   0.03  -0.15    -0.09  -0.22   0.19     0.03   0.13   0.04
    14   1    -0.06  -0.08   0.27     0.10   0.07  -0.08     0.03   0.06  -0.18
    15   1     0.01   0.19  -0.04    -0.10  -0.29  -0.25     0.10  -0.00   0.42
    16   1     0.03   0.19   0.07     0.09  -0.13  -0.12    -0.42  -0.34  -0.15
    17   1     0.08  -0.11  -0.19    -0.10  -0.07   0.06     0.19   0.13   0.07
    18   1    -0.36   0.38  -0.01    -0.16   0.01   0.30     0.19   0.11  -0.25
    19   1    -0.05   0.21   0.12     0.03  -0.20  -0.11    -0.07  -0.08   0.08
    20   1    -0.16  -0.02  -0.03     0.08  -0.10  -0.04    -0.02   0.19   0.11
    21   1    -0.15  -0.37  -0.18     0.05   0.09   0.05    -0.04  -0.25  -0.01
    22   1     0.02   0.05   0.03     0.12  -0.01  -0.01    -0.04  -0.00   0.00
    23   1     0.12  -0.00  -0.01     0.02   0.00   0.04    -0.04   0.01   0.00
    24   1    -0.12   0.07   0.06    -0.12   0.02   0.08     0.01  -0.00  -0.01
    25   1     0.02   0.00   0.08     0.01  -0.10   0.11     0.02  -0.03   0.09
    26   1     0.02   0.08  -0.09     0.03  -0.02  -0.03     0.02   0.04  -0.06
    27   1     0.04  -0.03   0.08     0.03   0.04  -0.07     0.03  -0.01   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1119.0315              1150.1856              1172.7791
 Red. masses --      1.4552                 1.9997                 2.4756
 Frc consts  --      1.0736                 1.5586                 2.0061
 IR Inten    --      5.6184                 1.3913                 0.7039
 RamAct Fr= 1--      7.4379                 2.3245                 9.8419
  Dep-P Fr= 1--      0.7475                 0.6892                 0.7498
  Dep-U Fr= 1--      0.8555                 0.8160                 0.8570
 Alpha2 Fr= 1--      0.0003                 0.0025                 0.0000
 Beta2  Fr= 1--      1.0605                 0.3161                 1.4058
 AlphaG Fr= 1--     -0.0005                 0.0152                 0.0066
 Gamma2 Fr= 1--      1.0338                -0.2425                 3.3229
 Delta2 Fr= 1--      0.0364                -1.5073                 0.2647
 Raman1 Fr= 1--      29.751                  9.298                 39.368
 ROA1   Fr= 1--     100.409                -71.509                327.471
 CID1   Fr= 1--       3.375                 -7.691                  8.318
 Raman2 Fr= 1--      12.726                  3.794                 16.869
 ROA2   Fr= 1--      24.520                  6.239                 77.633
 CID2   Fr= 1--       1.927                  1.645                  4.602
 Raman3 Fr= 1--      25.452                  7.587                 33.739
 ROA3   Fr= 1--     100.409                -71.509                327.471
 CID3   Fr= 1--       3.945                 -9.425                  9.706
 RC180  Fr= 1--       0.711                  0.632                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.06    -0.11  -0.06   0.10    -0.04   0.07   0.16
     2   6     0.07  -0.02   0.07    -0.04  -0.05   0.14    -0.14   0.09  -0.08
     3   6     0.00   0.03  -0.02     0.03   0.04  -0.07     0.09  -0.05   0.03
     4   6     0.04  -0.01  -0.03    -0.03  -0.01  -0.01    -0.07   0.07  -0.04
     5   6    -0.02  -0.03   0.00    -0.00   0.03   0.03     0.03  -0.12   0.01
     6   6     0.02  -0.06  -0.03    -0.02   0.08  -0.04     0.04  -0.08  -0.00
     7   6    -0.02   0.01   0.03     0.06  -0.02  -0.01    -0.03   0.05  -0.01
     8   6    -0.07   0.02  -0.05     0.03   0.03  -0.09     0.06  -0.05   0.04
     9   8    -0.01   0.01   0.01     0.01  -0.02   0.00     0.02   0.02  -0.00
    10   6    -0.02  -0.00  -0.06     0.05   0.03  -0.03     0.02  -0.03  -0.05
    11   6    -0.05  -0.01  -0.03     0.03   0.02  -0.05     0.02  -0.03  -0.06
    12   1     0.02  -0.01   0.01    -0.04  -0.03  -0.10    -0.15  -0.08  -0.16
    13   1    -0.10  -0.27   0.00    -0.08  -0.13   0.05    -0.03  -0.03   0.27
    14   1     0.07   0.05   0.37     0.06   0.06   0.14     0.21   0.27   0.21
    15   1     0.01   0.09  -0.06    -0.01  -0.03   0.04    -0.02  -0.20  -0.06
    16   1    -0.08  -0.00   0.02     0.19   0.12   0.03     0.15  -0.01  -0.00
    17   1     0.25   0.17   0.05    -0.44  -0.35  -0.15    -0.06   0.05   0.10
    18   1    -0.16   0.34  -0.15     0.16  -0.13   0.00    -0.03   0.19  -0.17
    19   1    -0.02  -0.36  -0.10    -0.11  -0.15   0.13     0.01   0.29   0.08
    20   1     0.17   0.12   0.10     0.00   0.32   0.18    -0.20  -0.15  -0.11
    21   1     0.11   0.08   0.17    -0.02  -0.32   0.04    -0.12  -0.08  -0.19
    22   1     0.23  -0.00  -0.02     0.16  -0.10  -0.08     0.16   0.06   0.02
    23   1     0.06  -0.01   0.10    -0.08  -0.01   0.06     0.19  -0.02   0.02
    24   1    -0.20   0.02   0.14     0.08  -0.11  -0.00    -0.10   0.05   0.06
    25   1     0.04  -0.02   0.15    -0.02   0.10  -0.17     0.02   0.21  -0.08
    26   1     0.05   0.13  -0.19    -0.04   0.02   0.02    -0.07   0.18  -0.07
    27   1     0.09   0.01   0.02    -0.06  -0.00  -0.01    -0.02  -0.08   0.18
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1190.6136              1217.2870              1227.8410
 Red. masses --      1.6641                 1.9630                 1.7533
 Frc consts  --      1.3898                 1.7138                 1.5574
 IR Inten    --      5.3016                 1.4695                 4.8311
 RamAct Fr= 1--      3.2171                 3.8456                 4.8632
  Dep-P Fr= 1--      0.7477                 0.7027                 0.6337
  Dep-U Fr= 1--      0.8557                 0.8254                 0.7758
 Alpha2 Fr= 1--      0.0001                 0.0032                 0.0103
 Beta2  Fr= 1--      0.4588                 0.5290                 0.6288
 AlphaG Fr= 1--     -0.0002                 0.0088                -0.0537
 Gamma2 Fr= 1--      1.5132                -1.8537                -1.2571
 Delta2 Fr= 1--      0.6292                -1.5984                -1.9165
 Raman1 Fr= 1--      12.868                 15.383                 19.453
 ROA1   Fr= 1--     165.398               -229.100               -182.010
 CID1   Fr= 1--      12.853                -14.893                 -9.356
 Raman2 Fr= 1--       5.506                  6.348                  7.545
 ROA2   Fr= 1--      31.283                -31.701                -14.839
 CID2   Fr= 1--       5.682                 -4.994                 -1.967
 Raman3 Fr= 1--      11.011                 12.697                 15.091
 ROA3   Fr= 1--     165.398               -229.100               -182.010
 CID3   Fr= 1--      15.021                -18.044                -12.061
 RC180  Fr= 1--       0.711                  0.651                  0.552
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.09   0.01    -0.10  -0.05   0.04    -0.08   0.17   0.03
     2   6     0.09   0.12   0.05     0.08   0.15  -0.07    -0.02  -0.03   0.03
     3   6    -0.01   0.02  -0.01    -0.04   0.05   0.04    -0.02  -0.02  -0.01
     4   6    -0.05  -0.01   0.01     0.06  -0.03  -0.05     0.04  -0.03   0.01
     5   6     0.00  -0.03   0.00    -0.07   0.00   0.05    -0.05   0.05  -0.06
     6   6    -0.01   0.01  -0.05    -0.01  -0.01   0.05    -0.00   0.00   0.04
     7   6    -0.02   0.00  -0.02     0.08   0.01  -0.04     0.01  -0.04  -0.00
     8   6    -0.05  -0.05  -0.02    -0.03  -0.06   0.04     0.00   0.01  -0.03
     9   8    -0.02  -0.00   0.01    -0.02  -0.01  -0.01     0.01   0.00  -0.01
    10   6    -0.03  -0.05  -0.01     0.03   0.00  -0.01     0.02  -0.07   0.01
    11   6    -0.03  -0.04  -0.01     0.05   0.03  -0.01     0.04  -0.07  -0.03
    12   1    -0.12  -0.36   0.09     0.03  -0.07   0.16     0.19   0.44  -0.06
    13   1     0.02   0.09  -0.03    -0.16  -0.47  -0.02    -0.03  -0.08  -0.01
    14   1    -0.03  -0.03  -0.22    -0.11  -0.12   0.02    -0.06  -0.10   0.04
    15   1     0.04  -0.04   0.25     0.11   0.23   0.28     0.00   0.08  -0.04
    16   1     0.36   0.17   0.04    -0.22  -0.22  -0.11    -0.19  -0.09  -0.04
    17   1    -0.25  -0.14  -0.03    -0.10  -0.10  -0.03     0.26   0.10  -0.02
    18   1     0.20  -0.40   0.09     0.24   0.03  -0.29     0.18  -0.40   0.06
    19   1     0.01  -0.19  -0.10     0.07  -0.01  -0.11    -0.03  -0.05   0.03
    20   1     0.07  -0.10  -0.05     0.00  -0.25  -0.14     0.01   0.09   0.05
    21   1     0.02  -0.00   0.04    -0.02   0.10  -0.05     0.01  -0.04   0.03
    22   1    -0.03   0.12   0.08     0.05  -0.05  -0.04    -0.07   0.12   0.09
    23   1     0.16  -0.01  -0.03     0.01  -0.00  -0.01     0.25  -0.01  -0.15
    24   1    -0.15   0.12   0.05     0.06  -0.04  -0.02     0.02   0.13  -0.08
    25   1     0.03   0.05   0.10    -0.03   0.03  -0.17     0.03   0.21  -0.07
    26   1     0.01   0.11  -0.11    -0.05  -0.05   0.12    -0.13   0.13   0.05
    27   1     0.07  -0.04   0.12    -0.11   0.01  -0.06    -0.08  -0.14   0.27
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1247.1068              1268.8210              1274.7493
 Red. masses --      1.7948                 2.0182                 1.4822
 Frc consts  --      1.6447                 1.9144                 1.4190
 IR Inten    --      2.9481                 0.0653                 3.6071
 RamAct Fr= 1--     10.8713                 3.7398                10.2558
  Dep-P Fr= 1--      0.5888                 0.5763                 0.7382
  Dep-U Fr= 1--      0.7412                 0.7312                 0.8494
 Alpha2 Fr= 1--      0.0327                 0.0122                 0.0021
 Beta2  Fr= 1--      1.3430                 0.4558                 1.4518
 AlphaG Fr= 1--      0.0556                -0.0086                -0.0071
 Gamma2 Fr= 1--      0.5976                 0.2140                 3.1113
 Delta2 Fr= 1--     -1.4213                 0.6011                 1.4343
 Raman1 Fr= 1--      43.485                 14.959                 41.023
 ROA1   Fr= 1--      11.888                 39.781                344.583
 CID1   Fr= 1--       0.273                  2.659                  8.400
 Raman2 Fr= 1--      16.116                  5.469                 17.422
 ROA2   Fr= 1--      25.712                  0.327                 63.197
 CID2   Fr= 1--       1.595                  0.060                  3.627
 Raman3 Fr= 1--      32.231                 10.938                 34.844
 ROA3   Fr= 1--      11.888                 39.781                344.583
 CID3   Fr= 1--       0.369                  3.637                  9.889
 RC180  Fr= 1--       0.482                  0.462                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.05   0.17    -0.11  -0.07   0.07    -0.05  -0.04   0.08
     2   6     0.00  -0.05  -0.05     0.02   0.07   0.03     0.11   0.03  -0.03
     3   6    -0.09  -0.05   0.01    -0.01   0.03  -0.04    -0.01  -0.06  -0.00
     4   6     0.03   0.04   0.00    -0.00   0.00   0.10    -0.03   0.02   0.02
     5   6     0.02  -0.03  -0.03     0.09   0.05  -0.06    -0.04   0.05  -0.04
     6   6    -0.01   0.03   0.03     0.02  -0.04  -0.01    -0.01   0.01   0.04
     7   6     0.00   0.01  -0.00    -0.14  -0.09  -0.02     0.05  -0.01   0.00
     8   6     0.00   0.02   0.01    -0.00  -0.02  -0.01    -0.04  -0.00   0.01
     9   8     0.00  -0.01  -0.01     0.02   0.02   0.01    -0.01  -0.01  -0.00
    10   6    -0.03   0.02  -0.07     0.03   0.04  -0.01     0.01   0.01  -0.03
    11   6    -0.04   0.01  -0.05     0.03   0.01  -0.02     0.02   0.01  -0.02
    12   1     0.20   0.42   0.02    -0.03  -0.14   0.03    -0.10  -0.26   0.01
    13   1     0.09   0.21  -0.19    -0.07  -0.12   0.00     0.24   0.62  -0.08
    14   1    -0.16  -0.13  -0.48    -0.10  -0.11  -0.42     0.12   0.14   0.26
    15   1     0.11   0.14   0.26    -0.05  -0.07  -0.08    -0.12  -0.17  -0.33
    16   1    -0.02  -0.02  -0.01     0.28   0.25   0.09    -0.24  -0.12  -0.05
    17   1    -0.11  -0.06   0.00     0.53   0.34   0.12     0.07  -0.00  -0.03
    18   1     0.06  -0.04  -0.05     0.05  -0.00   0.03     0.02  -0.16   0.05
    19   1     0.01   0.05  -0.00    -0.00  -0.05  -0.01     0.04  -0.06  -0.09
    20   1    -0.00   0.03   0.01    -0.00  -0.04  -0.03     0.10  -0.06  -0.02
    21   1     0.00   0.05  -0.00    -0.01  -0.05  -0.00     0.03   0.06   0.05
    22   1     0.25  -0.01  -0.04     0.08  -0.10  -0.07     0.10  -0.03  -0.03
    23   1     0.02  -0.01   0.19    -0.06   0.01   0.02     0.03  -0.00   0.04
    24   1    -0.17  -0.06   0.15     0.10  -0.10  -0.02    -0.01  -0.04   0.02
    25   1     0.02   0.03   0.06    -0.02   0.05  -0.14    -0.01   0.04  -0.08
    26   1     0.05   0.10  -0.17    -0.03   0.01   0.05    -0.02   0.02   0.01
    27   1     0.10   0.04  -0.04    -0.08  -0.00  -0.05    -0.04   0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1302.3368              1328.2312              1335.0483
 Red. masses --      2.1618                 1.6864                 1.4947
 Frc consts  --      2.1603                 1.7529                 1.5696
 IR Inten    --     11.4924                 3.0949                 1.6329
 RamAct Fr= 1--      7.7774                 8.5953                 3.9821
  Dep-P Fr= 1--      0.7240                 0.5957                 0.6964
  Dep-U Fr= 1--      0.8399                 0.7467                 0.8210
 Alpha2 Fr= 1--      0.0035                 0.0246                 0.0037
 Beta2  Fr= 1--      1.0887                 1.0696                 0.5449
 AlphaG Fr= 1--      0.0364                -0.0034                 0.0229
 Gamma2 Fr= 1--      2.9832                 2.0160                -0.8602
 Delta2 Fr= 1--      3.2484                 1.3626                -0.7167
 Raman1 Fr= 1--      31.110                 34.381                 15.929
 ROA1   Fr= 1--     390.333                237.136               -105.511
 CID1   Fr= 1--      12.547                  6.897                 -6.624
 Raman2 Fr= 1--      13.064                 12.836                  6.539
 ROA2   Fr= 1--      45.608                 37.482                -14.910
 CID2   Fr= 1--       3.491                  2.920                 -2.280
 Raman3 Fr= 1--      26.128                 25.671                 13.078
 ROA3   Fr= 1--     390.333                237.136               -105.511
 CID3   Fr= 1--      14.939                  9.237                 -8.068
 RC180  Fr= 1--       0.680                  0.493                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14  -0.07   0.03     0.10  -0.05  -0.01     0.02  -0.05   0.02
     2   6    -0.09   0.12   0.06    -0.04   0.02   0.00    -0.02   0.03  -0.01
     3   6     0.04   0.03  -0.04     0.01  -0.03   0.01    -0.00  -0.01   0.03
     4   6     0.03  -0.02   0.10     0.02  -0.00  -0.04    -0.06  -0.06  -0.11
     5   6    -0.08   0.06  -0.11    -0.12   0.07   0.11     0.06   0.09  -0.05
     6   6     0.02  -0.06  -0.02    -0.01   0.02   0.01     0.01  -0.02  -0.01
     7   6     0.07   0.05   0.04    -0.05  -0.07  -0.06    -0.03  -0.01   0.01
     8   6     0.03  -0.03  -0.01     0.02  -0.00   0.00     0.01  -0.01   0.01
     9   8    -0.01   0.00   0.00     0.01   0.00  -0.00     0.00   0.01   0.00
    10   6    -0.03   0.02  -0.01    -0.02   0.01  -0.01    -0.01   0.02  -0.00
    11   6    -0.05   0.01  -0.01    -0.03   0.02  -0.00    -0.01   0.01  -0.00
    12   1     0.00   0.03  -0.07     0.02   0.14  -0.07     0.03   0.07   0.01
    13   1    -0.16  -0.33   0.13     0.04   0.07  -0.00     0.01   0.00   0.02
    14   1    -0.07  -0.11  -0.12     0.08   0.07   0.27     0.12   0.10   0.44
    15   1    -0.14  -0.11  -0.42    -0.03   0.06  -0.15     0.15   0.13   0.56
    16   1    -0.36  -0.22  -0.05     0.29   0.17   0.01    -0.06   0.07   0.03
    17   1    -0.01  -0.03  -0.07     0.25   0.13   0.05     0.12   0.10   0.07
    18   1    -0.08  -0.34   0.21     0.59  -0.19  -0.40    -0.13  -0.30   0.46
    19   1    -0.02  -0.03   0.06    -0.00   0.02   0.03     0.01   0.03   0.00
    20   1    -0.13  -0.07  -0.07    -0.06   0.00  -0.01    -0.04  -0.03  -0.02
    21   1    -0.08  -0.15  -0.09    -0.03  -0.04  -0.05    -0.02   0.01  -0.04
    22   1     0.04  -0.01  -0.01    -0.00   0.00   0.00     0.04  -0.05  -0.03
    23   1    -0.06   0.00   0.10    -0.01  -0.00   0.07    -0.02   0.01   0.04
    24   1    -0.07  -0.05   0.07    -0.04  -0.04   0.05     0.01  -0.06   0.02
    25   1     0.01  -0.06   0.11     0.00  -0.09   0.08    -0.00  -0.02   0.00
    26   1     0.08  -0.01  -0.12     0.06  -0.07  -0.04     0.03  -0.03  -0.02
    27   1     0.11   0.04  -0.02     0.07   0.04  -0.01     0.03   0.02  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1350.1878              1407.8398              1413.0476
 Red. masses --      2.3836                 1.2361                 1.2844
 Frc consts  --      2.5602                 1.4435                 1.5110
 IR Inten    --      7.6105                 7.3763                 6.1796
 RamAct Fr= 1--     11.1501                 0.0942                 0.6685
  Dep-P Fr= 1--      0.4123                 0.5575                 0.2085
  Dep-U Fr= 1--      0.5839                 0.7159                 0.3451
 Alpha2 Fr= 1--      0.0790                 0.0003                 0.0089
 Beta2  Fr= 1--      1.0850                 0.0112                 0.0384
 AlphaG Fr= 1--      0.0032                -0.0042                -0.0049
 Gamma2 Fr= 1--      0.9898                 0.0479                -0.1576
 Delta2 Fr= 1--     -0.5023                -0.0025                 0.0196
 Raman1 Fr= 1--      44.600                  0.377                  2.674
 ROA1   Fr= 1--      78.947                  4.520                -14.503
 CID1   Fr= 1--       1.770                 11.990                 -5.424
 Raman2 Fr= 1--      13.021                  0.135                  0.461
 ROA2   Fr= 1--      27.774                  1.170                 -3.939
 CID2   Fr= 1--       2.133                  8.673                 -8.539
 Raman3 Fr= 1--      26.041                  0.270                  0.923
 ROA3   Fr= 1--      78.947                  4.520                -14.503
 CID3   Fr= 1--       3.032                 16.748                -15.719
 RC180  Fr= 1--       0.168                  0.432                 -0.310
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.08     0.02   0.00  -0.02     0.00  -0.01   0.00
     2   6     0.01   0.20   0.16    -0.01   0.00   0.01     0.00   0.04   0.02
     3   6    -0.05  -0.14  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.02  -0.03     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.01  -0.06   0.02    -0.01  -0.00   0.01    -0.00  -0.00  -0.00
     6   6     0.02  -0.09  -0.07     0.00  -0.00  -0.00     0.01  -0.00  -0.00
     7   6     0.01   0.04   0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
     8   6    -0.00  -0.04  -0.05     0.00  -0.01  -0.01    -0.02  -0.13  -0.06
     9   8    -0.00   0.02   0.01    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    10   6     0.03   0.01   0.02    -0.10   0.02   0.04    -0.02   0.01   0.00
    11   6     0.02   0.01   0.03    -0.00  -0.05   0.08    -0.00   0.02  -0.03
    12   1     0.26   0.62  -0.11     0.03   0.01   0.01     0.00   0.01  -0.01
    13   1     0.14   0.41  -0.04    -0.02   0.01   0.04    -0.00  -0.00  -0.00
    14   1    -0.01   0.01  -0.00    -0.03  -0.02   0.02    -0.01  -0.01  -0.01
    15   1     0.05   0.03   0.07     0.01  -0.03  -0.01    -0.00  -0.01  -0.01
    16   1     0.05  -0.04   0.00    -0.02   0.04   0.00     0.00  -0.03  -0.00
    17   1    -0.05  -0.01  -0.03    -0.03  -0.00   0.06     0.00  -0.00  -0.03
    18   1    -0.11   0.22  -0.08     0.01   0.01  -0.02    -0.00  -0.01  -0.00
    19   1    -0.05  -0.16   0.03    -0.03   0.01   0.04    -0.14   0.54   0.12
    20   1    -0.02  -0.04  -0.05    -0.02   0.01   0.00     0.07   0.34   0.37
    21   1    -0.02  -0.18   0.01     0.03   0.02   0.02     0.31   0.43   0.13
    22   1    -0.13  -0.05  -0.03     0.37  -0.15   0.01     0.06  -0.02  -0.00
    23   1    -0.13   0.00  -0.07     0.42   0.09  -0.10     0.09   0.02   0.01
    24   1     0.03   0.02   0.01     0.30  -0.18  -0.29     0.06  -0.07  -0.05
    25   1    -0.03  -0.05  -0.07    -0.13   0.19  -0.24     0.04  -0.07   0.08
    26   1     0.01  -0.01   0.04     0.11   0.28  -0.22    -0.02  -0.14   0.07
    27   1    -0.08   0.01  -0.07     0.01   0.05  -0.37     0.03  -0.01   0.15
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1427.9120              1457.2573              1482.1819
 Red. masses --      1.2082                 1.0864                 1.0520
 Frc consts  --      1.4514                 1.3593                 1.3617
 IR Inten    --     12.1573                15.4250                 5.3169
 RamAct Fr= 1--      0.6755                11.8283                 3.8286
  Dep-P Fr= 1--      0.2585                 0.6631                 0.7500
  Dep-U Fr= 1--      0.4108                 0.7975                 0.8571
 Alpha2 Fr= 1--      0.0078                 0.0183                 0.0000
 Beta2  Fr= 1--      0.0462                 1.5721                 0.5469
 AlphaG Fr= 1--     -0.0254                 0.0406                -0.0002
 Gamma2 Fr= 1--      0.1415                 2.0908                 1.2255
 Delta2 Fr= 1--      0.1833                 1.4490                 0.3495
 Raman1 Fr= 1--       2.702                 47.313                 15.315
 ROA1   Fr= 1--      19.456                247.084                128.832
 CID1   Fr= 1--       7.201                  5.222                  8.412
 Raman2 Fr= 1--       0.555                 18.865                  6.563
 ROA2   Fr= 1--       1.930                 38.587                 26.616
 CID2   Fr= 1--       3.478                  2.045                  4.055
 Raman3 Fr= 1--       1.110                 37.730                 13.127
 ROA3   Fr= 1--      19.456                247.084                128.832
 CID3   Fr= 1--      17.529                  6.549                  9.815
 RC180  Fr= 1--      -0.178                  0.595                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.01   0.00  -0.00    -0.01  -0.01   0.01
     2   6     0.00  -0.00   0.01    -0.00   0.01   0.01    -0.00  -0.00   0.01
     3   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03
     4   6     0.00   0.01  -0.00     0.01   0.01   0.00    -0.00  -0.01   0.00
     5   6     0.01  -0.01   0.00    -0.00  -0.01  -0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.01     0.00  -0.01  -0.01     0.00   0.00  -0.00
     7   6    -0.01   0.01   0.01     0.05  -0.04  -0.05     0.00  -0.00  -0.00
     8   6     0.00   0.04   0.01    -0.00   0.00  -0.00    -0.00  -0.01   0.02
     9   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.08   0.02   0.03    -0.00   0.00   0.01    -0.01  -0.03   0.01
    11   6    -0.00   0.05  -0.08    -0.01   0.00  -0.02    -0.01   0.02   0.01
    12   1     0.04   0.01   0.03     0.02   0.01   0.01     0.19  -0.03   0.16
    13   1    -0.01   0.04   0.03    -0.01   0.01   0.01    -0.11   0.08   0.23
    14   1    -0.03  -0.01  -0.01    -0.10  -0.06   0.02     0.08   0.05  -0.04
    15   1     0.01  -0.02   0.01     0.03  -0.11  -0.01    -0.03   0.10  -0.01
    16   1     0.08  -0.10  -0.00    -0.37   0.54   0.03    -0.02   0.03   0.00
    17   1     0.01  -0.01  -0.13    -0.18   0.02   0.64    -0.01   0.00   0.03
    18   1    -0.02   0.04  -0.01    -0.02   0.02  -0.02     0.00   0.01  -0.01
    19   1     0.04  -0.14  -0.04     0.01  -0.01  -0.01     0.17   0.02  -0.23
    20   1     0.02  -0.11  -0.11     0.02  -0.01  -0.00     0.05   0.14   0.15
    21   1    -0.09  -0.16  -0.01    -0.01  -0.03  -0.00    -0.15   0.04  -0.22
    22   1     0.30  -0.12   0.01     0.01  -0.06  -0.02     0.29   0.19   0.16
    23   1     0.35   0.08  -0.06     0.01   0.01  -0.07    -0.25  -0.05  -0.01
    24   1     0.24  -0.17  -0.23    -0.00   0.01   0.00     0.06   0.37  -0.26
    25   1     0.13  -0.22   0.26     0.06   0.10   0.11    -0.13  -0.11  -0.23
    26   1    -0.09  -0.34   0.22    -0.05  -0.14   0.11     0.24  -0.15  -0.17
    27   1     0.02  -0.05   0.42     0.16   0.02   0.06     0.05  -0.01   0.17
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1485.7675              1489.7330              1495.0384
 Red. masses --      1.0477                 1.0501                 1.0560
 Frc consts  --      1.3626                 1.3731                 1.3906
 IR Inten    --      8.4554                 8.9754                 4.4240
 RamAct Fr= 1--     13.8829                 6.9638                 1.4256
  Dep-P Fr= 1--      0.7376                 0.7088                 0.7498
  Dep-U Fr= 1--      0.8490                 0.8296                 0.8570
 Alpha2 Fr= 1--      0.0029                 0.0050                 0.0000
 Beta2  Fr= 1--      1.9644                 0.9628                 0.2036
 AlphaG Fr= 1--      0.0068                 0.0076                -0.0002
 Gamma2 Fr= 1--     -3.6749                 1.1455                -2.7321
 Delta2 Fr= 1--     -1.3254                 0.3207                -1.1760
 Raman1 Fr= 1--      55.532                 27.855                  5.702
 ROA1   Fr= 1--    -395.197                120.235               -299.912
 CID1   Fr= 1--      -7.117                  4.316                -52.593
 Raman2 Fr= 1--      23.573                 11.554                  2.444
 ROA2   Fr= 1--     -77.594                 24.927                -56.162
 CID2   Fr= 1--      -3.292                  2.157                -22.984
 Raman3 Fr= 1--      47.146                 23.108                  4.887
 ROA3   Fr= 1--    -395.197                120.235               -299.912
 CID3   Fr= 1--      -8.382                  5.203                -61.369
 RC180  Fr= 1--       0.698                  0.659                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.01     0.00  -0.00  -0.02
     2   6    -0.00   0.00  -0.02    -0.03   0.00  -0.01    -0.02   0.00   0.01
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.00  -0.01  -0.02
     4   6    -0.00  -0.01   0.00     0.00   0.01  -0.00    -0.01  -0.03   0.01
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.01
     7   6     0.01  -0.01  -0.01    -0.01   0.00   0.00     0.01  -0.00  -0.00
     8   6    -0.00   0.02  -0.03    -0.04   0.01  -0.01    -0.02  -0.00   0.01
     9   8    -0.00   0.00   0.00     0.01   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00  -0.02  -0.02     0.01   0.00   0.01    -0.00   0.01  -0.03
    11   6     0.01   0.02   0.01    -0.02  -0.00   0.01     0.01  -0.02  -0.01
    12   1     0.04  -0.01   0.04    -0.03   0.02  -0.03     0.17  -0.01   0.15
    13   1    -0.02   0.01   0.05     0.00  -0.04  -0.03    -0.10   0.06   0.21
    14   1     0.09   0.05  -0.04    -0.07  -0.04   0.03     0.22   0.12  -0.10
    15   1    -0.03   0.10  -0.01     0.02  -0.07   0.02    -0.08   0.25  -0.04
    16   1    -0.07   0.10   0.01     0.04  -0.06  -0.00    -0.03   0.05   0.00
    17   1    -0.03   0.01   0.11     0.03   0.00  -0.07    -0.02  -0.00   0.05
    18   1    -0.01  -0.00   0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
    19   1    -0.25   0.05   0.34     0.05   0.36  -0.12     0.17   0.18  -0.26
    20   1     0.03  -0.24  -0.23     0.58  -0.16  -0.04     0.32   0.04   0.11
    21   1     0.24  -0.12   0.40     0.03  -0.39   0.29    -0.13  -0.16  -0.06
    22   1     0.02   0.30   0.15     0.00  -0.16  -0.08    -0.17   0.17   0.05
    23   1    -0.03  -0.06   0.31    -0.04   0.03  -0.20     0.16  -0.03   0.34
    24   1     0.10  -0.01  -0.13    -0.08   0.07   0.07     0.09  -0.29   0.03
    25   1    -0.07  -0.26  -0.13    -0.07   0.12  -0.13     0.10   0.05   0.17
    26   1     0.12   0.02  -0.12     0.14  -0.15  -0.07    -0.19   0.16   0.12
    27   1    -0.19  -0.05   0.12     0.21   0.03   0.05    -0.10  -0.00  -0.16
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1499.3635              1508.5124              1513.6722
 Red. masses --      1.0579                 1.0667                 1.0679
 Frc consts  --      1.4013                 1.4302                 1.4416
 IR Inten    --      6.4676                 0.5325                 7.3640
 RamAct Fr= 1--      3.6885                 6.6302                 3.1001
  Dep-P Fr= 1--      0.7397                 0.7433                 0.7457
  Dep-U Fr= 1--      0.8504                 0.8527                 0.8543
 Alpha2 Fr= 1--      0.0006                 0.0008                 0.0002
 Beta2  Fr= 1--      0.5228                 0.9423                 0.4414
 AlphaG Fr= 1--      0.0122                -0.0049                 0.0046
 Gamma2 Fr= 1--     -0.5927                 2.4829                 0.9735
 Delta2 Fr= 1--     -0.7865                 1.4458                 0.3932
 Raman1 Fr= 1--      14.754                 26.521                 12.400
 ROA1   Fr= 1--     -82.071                284.619                106.035
 CID1   Fr= 1--      -5.563                 10.732                  8.551
 Raman2 Fr= 1--       6.273                 11.308                  5.297
 ROA2   Fr= 1--      -7.934                 48.022                 20.217
 CID2   Fr= 1--      -1.265                  4.247                  3.817
 Raman3 Fr= 1--      12.547                 22.615                 10.594
 ROA3   Fr= 1--     -82.071                284.619                106.035
 CID3   Fr= 1--      -6.541                 12.585                 10.009
 RC180  Fr= 1--       0.701                  0.705                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.03   0.02  -0.01     0.01   0.03   0.02
     2   6     0.01  -0.00  -0.02     0.01   0.00  -0.00    -0.00  -0.01  -0.02
     3   6    -0.01  -0.01  -0.03    -0.00  -0.00   0.00    -0.01  -0.00  -0.05
     4   6    -0.01  -0.02  -0.00    -0.01  -0.03   0.01     0.00   0.01  -0.01
     5   6    -0.00   0.00   0.01     0.00  -0.01   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     7   6    -0.01   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.02     0.01   0.00  -0.00     0.00   0.00  -0.00
     9   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.01   0.02     0.01   0.01  -0.02     0.01   0.02   0.01
    11   6    -0.01  -0.02  -0.02    -0.04  -0.00   0.02     0.01   0.02   0.01
    12   1     0.24  -0.07   0.23     0.02  -0.00   0.02     0.31  -0.08   0.29
    13   1    -0.14   0.11   0.30    -0.00   0.02   0.01    -0.18   0.12   0.38
    14   1     0.14   0.08  -0.05     0.20   0.11  -0.10    -0.08  -0.04   0.03
    15   1    -0.04   0.17  -0.02    -0.07   0.23  -0.04     0.03  -0.08   0.01
    16   1     0.05  -0.07  -0.00     0.01  -0.04  -0.01    -0.01   0.03   0.00
    17   1     0.02  -0.00  -0.07     0.00  -0.01  -0.03    -0.01  -0.00   0.03
    18   1     0.01   0.00  -0.01    -0.02   0.02  -0.01     0.02  -0.01  -0.01
    19   1    -0.16  -0.02   0.23    -0.04  -0.12   0.07    -0.03  -0.02   0.04
    20   1    -0.09  -0.10  -0.12    -0.16  -0.00  -0.03    -0.06   0.01  -0.01
    21   1     0.15   0.02   0.18     0.01   0.08  -0.04     0.02   0.05   0.00
    22   1     0.15  -0.09  -0.01    -0.22   0.00  -0.05    -0.22  -0.31  -0.20
    23   1    -0.17   0.01  -0.22     0.18   0.00   0.15     0.14   0.06  -0.21
    24   1    -0.05   0.25  -0.06     0.02  -0.28   0.12    -0.15  -0.17   0.27
    25   1     0.13   0.32   0.23    -0.12   0.29  -0.23    -0.08  -0.28  -0.13
    26   1    -0.22   0.01   0.20     0.24  -0.37  -0.08     0.13   0.06  -0.15
    27   1     0.21   0.07  -0.19     0.48   0.07   0.15    -0.22  -0.06   0.13
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1523.0450              1797.0836              3033.7430
 Red. masses --      1.0797                12.4837                 1.0386
 Frc consts  --      1.4757                23.7537                 5.6320
 IR Inten    --      7.3203               369.1073                18.0389
 RamAct Fr= 1--      7.5184                38.3008                 9.3488
  Dep-P Fr= 1--      0.5595                 0.6080                 0.7467
  Dep-U Fr= 1--      0.7176                 0.7562                 0.8550
 Alpha2 Fr= 1--      0.0272                 0.1002                 0.0005
 Beta2  Fr= 1--      0.8991                 4.8272                 1.3321
 AlphaG Fr= 1--      0.0179                 0.1441                -0.0113
 Gamma2 Fr= 1--     -2.0300                 1.6683                 2.2133
 Delta2 Fr= 1--     -1.0136                 2.1268                 0.8282
 Raman1 Fr= 1--      30.074                153.203                 37.395
 ROA1   Fr= 1--    -227.312                228.215                238.980
 CID1   Fr= 1--      -7.558                  1.490                  6.391
 Raman2 Fr= 1--      10.790                 57.926                 15.986
 ROA2   Fr= 1--     -40.610                 23.025                 46.493
 CID2   Fr= 1--      -3.764                  0.397                  2.908
 Raman3 Fr= 1--      21.579                115.853                 31.971
 ROA3   Fr= 1--    -227.312                228.215                238.980
 CID3   Fr= 1--     -10.534                  1.970                  7.475
 RC180  Fr= 1--       0.435                  0.512                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01    -0.03  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.04  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.03    -0.01  -0.02   0.01    -0.00   0.00   0.00
     4   6    -0.02  -0.05   0.03     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.01  -0.01    -0.02  -0.01  -0.01     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.77   0.26  -0.01     0.00  -0.00   0.00
     7   6     0.01  -0.00  -0.01    -0.05  -0.02   0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.01   0.01   0.00    -0.00   0.00   0.00
     9   8     0.00   0.00   0.00    -0.50  -0.17   0.01     0.00  -0.00   0.00
    10   6    -0.01   0.01   0.03     0.00  -0.00   0.00     0.04  -0.01   0.00
    11   6     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.02  -0.03
    12   1    -0.16   0.03  -0.14    -0.03   0.07  -0.04     0.01  -0.01  -0.01
    13   1     0.09  -0.07  -0.19     0.04   0.01  -0.04    -0.01   0.00  -0.01
    14   1     0.43   0.22  -0.21     0.01   0.01   0.01    -0.01   0.01  -0.00
    15   1    -0.16   0.50  -0.09    -0.01   0.02  -0.01     0.01   0.00  -0.00
    16   1    -0.07   0.08   0.00     0.05   0.07   0.02     0.00   0.01  -0.04
    17   1    -0.04  -0.00   0.10     0.09   0.06   0.03     0.01  -0.02   0.00
    18   1    -0.01  -0.02   0.00    -0.03  -0.02  -0.02     0.00   0.00   0.00
    19   1     0.01   0.01  -0.01     0.04  -0.01  -0.01    -0.01  -0.00  -0.00
    20   1     0.01   0.00   0.00     0.03  -0.01  -0.03     0.00   0.00  -0.00
    21   1    -0.00  -0.01  -0.00    -0.06  -0.10  -0.03     0.02  -0.01  -0.01
    22   1     0.09  -0.28  -0.12    -0.00   0.00   0.00    -0.02  -0.12   0.21
    23   1     0.00   0.06  -0.32     0.01   0.00   0.00    -0.04   0.41   0.06
    24   1    -0.08   0.10   0.05     0.01  -0.00  -0.01    -0.36  -0.16  -0.32
    25   1    -0.01  -0.20  -0.01     0.00   0.03  -0.00    -0.28   0.02   0.12
    26   1     0.02   0.08  -0.05    -0.01  -0.02   0.02     0.33   0.17   0.32
    27   1    -0.19  -0.04   0.06     0.02   0.01   0.00     0.08  -0.39  -0.09
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3036.9026              3040.1949              3057.4197
 Red. masses --      1.0363                 1.0380                 1.0594
 Frc consts  --      5.6310                 5.6526                 5.8349
 IR Inten    --     27.5966                54.2354                36.5519
 RamAct Fr= 1--     11.7194               649.5443               120.5395
  Dep-P Fr= 1--      0.7278                 0.0143                 0.3506
  Dep-U Fr= 1--      0.8425                 0.0283                 0.5192
 Alpha2 Fr= 1--      0.0045                13.9582                 1.0561
 Beta2  Fr= 1--      1.6455                 3.0608                10.4307
 AlphaG Fr= 1--     -0.0200                 0.7016                -0.7155
 Gamma2 Fr= 1--      1.2171                 2.9931                 5.5193
 Delta2 Fr= 1--      1.1348                -1.0781                -7.4949
 Raman1 Fr= 1--      46.878               2598.177                482.158
 ROA1   Fr= 1--     153.157                252.837                290.015
 CID1   Fr= 1--       3.267                  0.097                  0.601
 Raman2 Fr= 1--      19.747                 36.730                125.168
 ROA2   Fr= 1--      20.132                 80.458                192.422
 CID2   Fr= 1--       1.020                  2.191                  1.537
 Raman3 Fr= 1--      39.493                 73.460                250.336
 ROA3   Fr= 1--     153.157                252.837                290.015
 CID3   Fr= 1--       3.878                  3.442                  1.159
 RC180  Fr= 1--       0.685                 -0.943                  0.038
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.01  -0.00  -0.06
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.03   0.01
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   6     0.00   0.04   0.02    -0.00  -0.03  -0.01    -0.00  -0.00  -0.00
     9   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   6     0.02  -0.01   0.00     0.03  -0.01   0.00     0.00  -0.00   0.00
    11   6     0.01  -0.01   0.02     0.01  -0.01   0.03     0.00   0.00   0.00
    12   1    -0.01   0.01   0.01     0.04  -0.02  -0.04    -0.37   0.21   0.40
    13   1     0.02  -0.01   0.01    -0.05   0.01  -0.02     0.53  -0.16   0.26
    14   1    -0.01   0.01  -0.00    -0.01   0.01  -0.00    -0.23   0.35  -0.03
    15   1     0.01   0.00  -0.00     0.02   0.00  -0.01     0.29   0.05  -0.10
    16   1    -0.00  -0.00   0.02    -0.00  -0.01   0.05    -0.00   0.00  -0.00
    17   1    -0.01   0.01  -0.00    -0.02   0.03  -0.01     0.02  -0.03   0.01
    18   1     0.01   0.00   0.00     0.02   0.01   0.02    -0.02  -0.02  -0.02
    19   1    -0.36   0.00  -0.25     0.26   0.00   0.18     0.02   0.00   0.02
    20   1    -0.06  -0.30   0.35     0.04   0.21  -0.25     0.01   0.03  -0.03
    21   1     0.39  -0.14  -0.27    -0.28   0.10   0.19    -0.03   0.01   0.02
    22   1    -0.01  -0.06   0.12    -0.02  -0.10   0.18    -0.00  -0.00   0.00
    23   1    -0.02   0.24   0.04    -0.03   0.32   0.05    -0.00   0.02   0.00
    24   1    -0.20  -0.09  -0.18    -0.30  -0.13  -0.27    -0.01  -0.01  -0.01
    25   1     0.16  -0.01  -0.07     0.24  -0.02  -0.11     0.01  -0.00  -0.00
    26   1    -0.19  -0.10  -0.18    -0.27  -0.13  -0.26    -0.01  -0.00  -0.01
    27   1    -0.05   0.24   0.05    -0.06   0.30   0.06    -0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3062.6756              3066.3478              3084.9481
 Red. masses --      1.0610                 1.0619                 1.1009
 Frc consts  --      5.8635                 5.8825                 6.1729
 IR Inten    --     18.9991                41.2660                 6.1636
 RamAct Fr= 1--    118.2207               447.2837                29.0817
  Dep-P Fr= 1--      0.1745                 0.0465                 0.7299
  Dep-U Fr= 1--      0.2972                 0.0890                 0.8438
 Alpha2 Fr= 1--      1.7162                 8.9081                 0.0100
 Beta2  Fr= 1--      5.8561                 6.6314                 4.0901
 AlphaG Fr= 1--      0.2973                -1.4394                -0.0210
 Gamma2 Fr= 1--     -3.3428               -11.0751                 4.2838
 Delta2 Fr= 1--     -6.7376                -1.7429                -1.4663
 Raman1 Fr= 1--     472.883               1789.135                116.327
 ROA1   Fr= 1--    -536.516              -1118.979                364.320
 CID1   Fr= 1--      -1.135                 -0.625                  3.132
 Raman2 Fr= 1--      70.273                 79.576                 49.081
 ROA2   Fr= 1--     -26.327               -251.858                114.540
 CID2   Fr= 1--      -0.375                 -3.165                  2.334
 Raman3 Fr= 1--     140.546                159.153                 98.162
 ROA3   Fr= 1--    -536.516              -1118.979                364.320
 CID3   Fr= 1--      -3.817                 -7.031                  3.711
 RC180  Fr= 1--      -0.406                 -0.822                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.01     0.00   0.00   0.03     0.00  -0.00  -0.00
     4   6    -0.00   0.01  -0.00    -0.01  -0.05   0.02    -0.00   0.00  -0.00
     5   6     0.01   0.00   0.01     0.01   0.01   0.01    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.03  -0.04  -0.04     0.01  -0.01  -0.01    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.00   0.01
     9   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.03  -0.06  -0.04
    11   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.01   0.04   0.02
    12   1    -0.08   0.04   0.08     0.23  -0.13  -0.25    -0.00   0.00   0.00
    13   1     0.09  -0.03   0.04    -0.28   0.08  -0.14    -0.00   0.00  -0.00
    14   1     0.10  -0.15   0.01    -0.34   0.52  -0.04     0.01  -0.01   0.00
    15   1    -0.08  -0.01   0.03     0.47   0.08  -0.16    -0.01  -0.00   0.00
    16   1    -0.05  -0.12   0.60    -0.02  -0.03   0.16    -0.00  -0.00   0.01
    17   1    -0.35   0.61  -0.17    -0.06   0.11  -0.03     0.00  -0.00   0.00
    18   1    -0.07  -0.06  -0.08    -0.15  -0.12  -0.15     0.00   0.00   0.00
    19   1     0.00   0.00   0.00    -0.01  -0.00  -0.01     0.02  -0.00   0.02
    20   1     0.00   0.00  -0.00    -0.00  -0.02   0.02     0.01   0.06  -0.07
    21   1     0.00  -0.00  -0.00     0.02  -0.01  -0.01     0.07  -0.03  -0.05
    22   1     0.00   0.00  -0.01    -0.01  -0.02   0.03    -0.01  -0.04   0.04
    23   1     0.00   0.00   0.00     0.00  -0.03  -0.01    -0.08   0.65   0.09
    24   1    -0.00   0.00   0.00     0.05   0.02   0.04     0.40   0.16   0.36
    25   1     0.04  -0.00  -0.02     0.01  -0.00  -0.00    -0.01   0.01   0.01
    26   1     0.05   0.03   0.05     0.03   0.01   0.03    -0.21  -0.10  -0.20
    27   1     0.01  -0.05  -0.01     0.00  -0.01  -0.00     0.07  -0.33  -0.07
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3086.6878              3091.0435              3091.6977
 Red. masses --      1.1042                 1.0898                 1.0998
 Frc consts  --      6.1983                 6.1350                 6.1937
 IR Inten    --      4.3940                31.8573                79.6283
 RamAct Fr= 1--    109.1304               371.5379               191.3179
  Dep-P Fr= 1--      0.3648                 0.1086                 0.7454
  Dep-U Fr= 1--      0.5346                 0.1960                 0.8541
 Alpha2 Fr= 1--      0.9125                 6.3689                 0.0150
 Beta2  Fr= 1--      9.7239                12.1339                27.2345
 AlphaG Fr= 1--     -1.1501                 2.6026                 0.0970
 Gamma2 Fr= 1--    -14.8888                42.4555                -5.0735
 Delta2 Fr= 1--    -18.0659                20.6464                -1.0917
 Raman1 Fr= 1--     436.522               1486.152                765.272
 ROA1   Fr= 1--   -2007.436               4736.410               -521.992
 CID1   Fr= 1--      -4.599                  3.187                 -0.682
 Raman2 Fr= 1--     116.687                145.607                326.814
 ROA2   Fr= 1--    -212.804                853.761               -113.031
 CID2   Fr= 1--      -1.824                  5.863                 -0.346
 Raman3 Fr= 1--     233.373                291.213                653.628
 ROA3   Fr= 1--   -2007.436               4736.410               -521.992
 CID3   Fr= 1--      -8.602                 16.264                 -0.799
 RC180  Fr= 1--       0.069                 -0.608                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6    -0.06   0.03   0.01     0.03  -0.01  -0.00     0.00  -0.00   0.00
     4   6     0.05  -0.02  -0.01    -0.02  -0.01   0.01     0.00  -0.00   0.00
     5   6    -0.02  -0.01  -0.02    -0.05  -0.04  -0.04    -0.01  -0.01  -0.01
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6     0.00  -0.00  -0.00     0.01  -0.02   0.01     0.00   0.00  -0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01   0.00  -0.01
     9   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   6     0.00   0.00   0.00     0.00   0.01   0.00    -0.01  -0.03  -0.02
    11   6     0.00   0.00   0.00     0.01   0.01   0.00    -0.03  -0.06  -0.04
    12   1     0.32  -0.19  -0.38    -0.11   0.06   0.13    -0.00   0.00   0.00
    13   1     0.41  -0.12   0.22    -0.23   0.07  -0.12    -0.00   0.00  -0.00
    14   1    -0.21   0.33  -0.04    -0.04   0.06  -0.01    -0.01   0.02  -0.00
    15   1    -0.41  -0.08   0.15     0.23   0.04  -0.08     0.01   0.00  -0.00
    16   1    -0.01  -0.01   0.05     0.00   0.00  -0.04    -0.00  -0.00   0.01
    17   1    -0.04   0.07  -0.02    -0.12   0.20  -0.05     0.00   0.00  -0.00
    18   1     0.21   0.17   0.21     0.53   0.42   0.52     0.11   0.09   0.11
    19   1    -0.03   0.00  -0.02    -0.03  -0.00  -0.02     0.09   0.00   0.06
    20   1    -0.00  -0.02   0.02     0.00   0.02  -0.02    -0.01  -0.06   0.07
    21   1    -0.03   0.01   0.02     0.02  -0.01  -0.02    -0.01   0.01   0.01
    22   1     0.00   0.01  -0.01     0.00   0.01  -0.01    -0.01  -0.03   0.03
    23   1     0.00  -0.02  -0.00     0.01  -0.08  -0.01    -0.04   0.34   0.05
    24   1    -0.01  -0.00  -0.01    -0.02  -0.01  -0.02     0.21   0.08   0.19
    25   1    -0.00   0.00   0.00    -0.05   0.01   0.02     0.05  -0.02  -0.04
    26   1    -0.02  -0.01  -0.02    -0.05  -0.03  -0.05     0.39   0.18   0.37
    27   1     0.01  -0.05  -0.01     0.02  -0.10  -0.02    -0.13   0.61   0.12
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3098.3833              3100.2320              3101.2728
 Red. masses --      1.1033                 1.1016                 1.1015
 Frc consts  --      6.2406                 6.2382                 6.2418
 IR Inten    --      4.7513                13.0430                32.1708
 RamAct Fr= 1--     96.5102               135.9912               102.8335
  Dep-P Fr= 1--      0.6980                 0.7318                 0.7396
  Dep-U Fr= 1--      0.8222                 0.8452                 0.8503
 Alpha2 Fr= 1--      0.0875                 0.0422                 0.0182
 Beta2  Fr= 1--     13.2247                19.1558                14.5733
 AlphaG Fr= 1--     -0.2731                -0.1162                 0.0551
 Gamma2 Fr= 1--    -55.5112                -3.7829                 6.1189
 Delta2 Fr= 1--     -6.1040                 2.6990                 2.2789
 Raman1 Fr= 1--     386.041                543.965                411.334
 ROA1   Fr= 1--   -5524.406               -276.790                660.340
 CID1   Fr= 1--     -14.310                 -0.509                  1.605
 Raman2 Fr= 1--     158.697                229.870                174.880
 ROA2   Fr= 1--   -1283.437               -112.382                128.623
 CID2   Fr= 1--      -8.087                 -0.489                  0.735
 Raman3 Fr= 1--     317.393                459.740                349.759
 ROA3   Fr= 1--   -5524.406               -276.790                660.340
 CID3   Fr= 1--     -17.406                 -0.602                  1.888
 RC180  Fr= 1--       0.644                  0.690                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     3   6     0.02  -0.01  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
     4   6     0.02  -0.01  -0.00     0.01  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.01  -0.01  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.02   0.05  -0.06     0.00  -0.00   0.00    -0.00   0.01  -0.01
     8   6    -0.00  -0.01   0.02    -0.09   0.01   0.00     0.00   0.03  -0.08
     9   8    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00  -0.00   0.01     0.00   0.01   0.01     0.00  -0.00   0.00
    11   6    -0.04   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.01   0.01
    12   1    -0.09   0.05   0.10    -0.01   0.01   0.01    -0.03   0.02   0.04
    13   1    -0.14   0.04  -0.08    -0.02   0.00  -0.01    -0.04   0.01  -0.02
    14   1    -0.07   0.11  -0.01    -0.04   0.07  -0.01    -0.00   0.01   0.00
    15   1    -0.15  -0.03   0.05    -0.09  -0.02   0.03     0.00   0.00  -0.00
    16   1    -0.06  -0.10   0.61     0.00   0.01  -0.03    -0.01  -0.02   0.14
    17   1     0.27  -0.45   0.11    -0.02   0.03  -0.01     0.06  -0.10   0.02
    18   1     0.09   0.07   0.09    -0.01  -0.01  -0.01     0.03   0.02   0.03
    19   1    -0.07  -0.00  -0.05     0.56   0.01   0.41     0.36   0.01   0.24
    20   1     0.02   0.11  -0.12    -0.01   0.05  -0.06    -0.11  -0.52   0.58
    21   1     0.07  -0.03  -0.05     0.53  -0.20  -0.38    -0.27   0.11   0.17
    22   1     0.01   0.03  -0.06     0.01   0.02  -0.04     0.00   0.01  -0.01
    23   1     0.00  -0.02  -0.00     0.01  -0.08  -0.01    -0.00   0.02   0.00
    24   1    -0.02  -0.01  -0.02    -0.05  -0.02  -0.04    -0.00  -0.00   0.00
    25   1     0.32  -0.02  -0.15    -0.03   0.00   0.01     0.03   0.00  -0.01
    26   1     0.08   0.05   0.09    -0.01  -0.01  -0.01    -0.05  -0.02  -0.05
    27   1     0.02  -0.14  -0.03    -0.00   0.01   0.00     0.03  -0.15  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3105.7165              3111.5482              3127.8200
 Red. masses --      1.1048                 1.0988                 1.0961
 Frc consts  --      6.2784                 6.2677                 6.3180
 IR Inten    --     89.6110                25.9605                34.9177
 RamAct Fr= 1--    149.3700               109.5149               104.7106
  Dep-P Fr= 1--      0.7082                 0.6475                 0.5516
  Dep-U Fr= 1--      0.8292                 0.7861                 0.7110
 Alpha2 Fr= 1--      0.1082                 0.2018                 0.3966
 Beta2  Fr= 1--     20.6431                14.3476                12.4088
 AlphaG Fr= 1--     -0.2407                -0.3605                -0.2725
 Gamma2 Fr= 1--     -6.7596                45.9289                -5.8971
 Delta2 Fr= 1--     -2.7959                14.4695                 0.2520
 Raman1 Fr= 1--     597.480                438.059                418.843
 ROA1   Fr= 1--    -738.396               4872.196               -558.054
 CID1   Fr= 1--      -1.236                 11.122                 -1.332
 Raman2 Fr= 1--     247.717                172.171                148.906
 ROA2   Fr= 1--    -139.864                986.536               -143.546
 CID2   Fr= 1--      -0.565                  5.730                 -0.964
 Raman3 Fr= 1--     495.434                344.343                297.812
 ROA3   Fr= 1--    -738.396               4872.196               -558.054
 CID3   Fr= 1--      -1.490                 14.149                 -1.874
 RC180  Fr= 1--       0.658                  0.572                  0.422
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.05   0.02   0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
     4   6    -0.06   0.02   0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
     5   6    -0.01  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.01   0.01  -0.02     0.01  -0.02   0.03    -0.00   0.00  -0.00
     8   6    -0.01   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.05  -0.07
    11   6    -0.01   0.00   0.00    -0.08   0.02   0.02    -0.00   0.00   0.00
    12   1     0.23  -0.14  -0.28    -0.00   0.00   0.00    -0.06   0.04   0.07
    13   1     0.33  -0.10   0.18    -0.00   0.00  -0.00    -0.05   0.01  -0.02
    14   1     0.24  -0.39   0.04    -0.01   0.02  -0.00    -0.03   0.05  -0.01
    15   1     0.53   0.11  -0.19    -0.01  -0.00   0.01    -0.14  -0.03   0.05
    16   1    -0.02  -0.03   0.17     0.04   0.07  -0.37    -0.00   0.00   0.00
    17   1     0.09  -0.15   0.03    -0.11   0.18  -0.04     0.00  -0.00   0.00
    18   1     0.09   0.07   0.09    -0.02  -0.02  -0.02    -0.01  -0.00  -0.01
    19   1     0.06   0.00   0.05     0.02   0.00   0.01     0.01   0.00   0.01
    20   1     0.00   0.02  -0.02    -0.00  -0.02   0.02    -0.00  -0.00   0.01
    21   1     0.08  -0.03  -0.06     0.00   0.00  -0.00     0.01  -0.00  -0.00
    22   1    -0.02  -0.07   0.14     0.00   0.01  -0.02    -0.12  -0.43   0.80
    23   1     0.01  -0.08  -0.02     0.00  -0.00  -0.00     0.03  -0.25  -0.05
    24   1     0.02   0.01   0.02    -0.00  -0.00  -0.00     0.14   0.07   0.11
    25   1     0.11  -0.01  -0.05     0.73  -0.05  -0.34     0.01  -0.00  -0.01
    26   1     0.02   0.01   0.03     0.15   0.09   0.17    -0.00  -0.00  -0.00
    27   1     0.01  -0.06  -0.01     0.04  -0.28  -0.05     0.00  -0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1242.365571522.783631642.11088
           X            0.99896  -0.04244   0.01648
           Y            0.04241   0.99910   0.00234
           Z           -0.01656  -0.00164   0.99986
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06972     0.05688     0.05275
 Rotational constants (GHZ):           1.45267     1.18516     1.09904
 Zero-point vibrational energy     631682.9 (Joules/Mol)
                                  150.97584 (Kcal/Mol)
 Warning -- explicit consideration of  17 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    155.77   243.56   264.44   313.25   324.37
          (Kelvin)            347.14   377.71   418.26   432.68   553.67
                              569.00   597.60   685.71   755.34   807.14
                              829.47   891.68   939.32  1028.03  1088.28
                             1203.65  1241.10  1256.11  1332.46  1357.58
                             1363.48  1381.82  1390.02  1442.01  1484.75
                             1496.98  1521.78  1584.69  1610.04  1654.86
                             1687.37  1713.03  1751.40  1766.59  1794.31
                             1825.55  1834.08  1873.77  1911.03  1920.84
                             1942.62  2025.57  2033.06  2054.45  2096.67
                             2132.53  2137.69  2143.39  2151.03  2157.25
                             2170.41  2177.84  2191.32  2585.60  4364.88
                             4369.43  4374.16  4398.95  4406.51  4411.79
                             4438.55  4441.06  4447.32  4448.26  4457.88
                             4460.54  4462.04  4468.43  4476.82  4500.24
 
 Zero-point correction=                           0.240595 (Hartree/Particle)
 Thermal correction to Energy=                    0.251264
 Thermal correction to Enthalpy=                  0.252208
 Thermal correction to Gibbs Free Energy=         0.205938
 Sum of electronic and zero-point Energies=           -465.914442
 Sum of electronic and thermal Energies=              -465.903773
 Sum of electronic and thermal Enthalpies=            -465.902829
 Sum of electronic and thermal Free Energies=         -465.949099
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  157.670             43.591             97.384
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             29.520
 Vibrational            155.893             37.630             26.896
 Vibration     1          0.606              1.943              3.300
 Vibration     2          0.625              1.880              2.443
 Vibration     3          0.631              1.862              2.289
 Vibration     4          0.646              1.814              1.978
 Vibration     5          0.650              1.802              1.915
 Vibration     6          0.658              1.777              1.793
 Vibration     7          0.670              1.741              1.645
 Vibration     8          0.687              1.691              1.470
 Vibration     9          0.693              1.672              1.413
 Vibration    10          0.754              1.503              1.020
 Vibration    11          0.762              1.480              0.979
 Vibration    12          0.779              1.437              0.908
 Vibration    13          0.833              1.302              0.719
 Vibration    14          0.880              1.195              0.599
 Vibration    15          0.917              1.116              0.522
 Vibration    16          0.933              1.082              0.492
 Vibration    17          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.188532D-94        -94.724615       -218.111486
 Total V=0       0.873882D+16         15.941453         36.706551
 Vib (Bot)       0.405192-108       -108.392339       -249.582585
 Vib (Bot)    1  0.189243D+01          0.277019          0.637860
 Vib (Bot)    2  0.119076D+01          0.075826          0.174595
 Vib (Bot)    3  0.109134D+01          0.037961          0.087408
 Vib (Bot)    4  0.909375D+00         -0.041257         -0.094998
 Vib (Bot)    5  0.875366D+00         -0.057810         -0.133113
 Vib (Bot)    6  0.812202D+00         -0.090336         -0.208007
 Vib (Bot)    7  0.738947D+00         -0.131386         -0.302528
 Vib (Bot)    8  0.657566D+00         -0.182061         -0.419211
 Vib (Bot)    9  0.632135D+00         -0.199190         -0.458652
 Vib (Bot)   10  0.468253D+00         -0.329520         -0.758747
 Vib (Bot)   11  0.452174D+00         -0.344694         -0.793688
 Vib (Bot)   12  0.424247D+00         -0.372381         -0.857439
 Vib (Bot)   13  0.351943D+00         -0.453528         -1.044286
 Vib (Bot)   14  0.306054D+00         -0.514202         -1.183994
 Vib (Bot)   15  0.276784D+00         -0.557859         -1.284517
 Vib (Bot)   16  0.265239D+00         -0.576363         -1.327124
 Vib (Bot)   17  0.236030D+00         -0.627032         -1.443795
 Vib (V=0)       0.187814D+03          2.273728          5.235452
 Vib (V=0)    1  0.245736D+01          0.390470          0.899090
 Vib (V=0)    2  0.179148D+01          0.253212          0.583042
 Vib (V=0)    3  0.170043D+01          0.230558          0.530880
 Vib (V=0)    4  0.153777D+01          0.186891          0.430332
 Vib (V=0)    5  0.150810D+01          0.178430          0.410851
 Vib (V=0)    6  0.145377D+01          0.162495          0.374158
 Vib (V=0)    7  0.139221D+01          0.143706          0.330894
 Vib (V=0)    8  0.132607D+01          0.122567          0.282220
 Vib (V=0)    9  0.130597D+01          0.115935          0.266950
 Vib (V=0)   10  0.118503D+01          0.073728          0.169765
 Vib (V=0)   11  0.117414D+01          0.069719          0.160534
 Vib (V=0)   12  0.115573D+01          0.062857          0.144735
 Vib (V=0)   13  0.111144D+01          0.045888          0.105660
 Vib (V=0)   14  0.108623D+01          0.035923          0.082716
 Vib (V=0)   15  0.107150D+01          0.029991          0.069057
 Vib (V=0)   16  0.106600D+01          0.027756          0.063910
 Vib (V=0)   17  0.105291D+01          0.022392          0.051559
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.630944D+06          5.799991         13.354972
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000886   -0.000000624   -0.000000853
      2        6          -0.000001823    0.000001196    0.000000420
      3        6          -0.000003864   -0.000000675    0.000001506
      4        6          -0.000002691    0.000001003    0.000001500
      5        6          -0.000000496    0.000000410   -0.000000659
      6        6           0.000001550   -0.000002009    0.000004442
      7        6           0.000000625   -0.000004814    0.000003888
      8        6          -0.000000547   -0.000000520    0.000000545
      9        8           0.000001228   -0.000003770    0.000006024
     10        6           0.000000256    0.000002873   -0.000005255
     11        6           0.000004356   -0.000000260   -0.000002486
     12        1          -0.000005458    0.000002856   -0.000000422
     13        1          -0.000006148    0.000000562    0.000003681
     14        1          -0.000005562    0.000001007    0.000003175
     15        1          -0.000005411    0.000002485   -0.000001167
     16        1           0.000003433   -0.000003274    0.000003782
     17        1          -0.000000805   -0.000002211    0.000006038
     18        1           0.000001291    0.000000198   -0.000000004
     19        1          -0.000001350   -0.000000487    0.000002343
     20        1           0.000002441   -0.000000609   -0.000000480
     21        1          -0.000000921    0.000001618   -0.000002196
     22        1          -0.000002502    0.000003740   -0.000005094
     23        1           0.000000959    0.000002612   -0.000006166
     24        1           0.000001618    0.000002924   -0.000006008
     25        1           0.000006310   -0.000002667    0.000000032
     26        1           0.000006630   -0.000000713   -0.000003137
     27        1           0.000005994   -0.000000849   -0.000003451
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000006630 RMS     0.000003094
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.144099D+03  0.180548D+01 -0.710548D+00
      2   0.180548D+01  0.137568D+03  0.215675D+01
      3  -0.710548D+00  0.215675D+01  0.133659D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.289321D+00 -0.541409D+01  0.238035D+01
      2   0.260006D+01 -0.537476D+01  0.247309D+02
      3   0.599284D+01 -0.198551D+02  0.651408D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.256182D+02 -0.165320D+02  0.137187D+02
      2  -0.168408D+02  0.725735D+01 -0.778359D+01
      3  -0.877740D+01  0.927467D+01 -0.593509D+01
      4  -0.186211D+02  0.387569D+02 -0.179709D+02
      5   0.103579D+02 -0.182167D+02  0.499000D+02
      6  -0.935859D+01 -0.143550D+02 -0.302009D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.273010D+01  0.232838D+01  0.837862D+01  0.148846D+01  0.361924D+01
      2   0.232838D+01  0.443024D+01  0.649572D+00  0.361924D+01 -0.875375D+01
      3   0.837862D+01  0.649572D+00  0.430568D+01  0.335575D-01 -0.246303D+01
                 6             7             8             9            10 
      1   0.335575D-01  0.103921D+02  0.933794D+00  0.290145D+01 -0.684055D+01
      2  -0.246303D+01  0.933794D+00 -0.216094D+01  0.609016D+01 -0.297331D+01
      3   0.456957D+01  0.290145D+01  0.609016D+01 -0.157489D+01 -0.621911D+01
                11            12            13            14            15 
      1  -0.297331D+01 -0.621911D+01 -0.400882D+01  0.111306D+01  0.300155D+01
      2   0.139233D+01  0.307833D+01  0.111306D+01  0.106628D+01  0.442746D+01
      3   0.307833D+01 -0.101757D+01  0.300155D+01  0.442746D+01 -0.575409D+01
                16            17            18            19            20 
      1  -0.650486D+01  0.293346D+01 -0.303418D+01  0.335098D+01 -0.556404D+00
      2   0.293346D+01  0.317514D+01 -0.409821D+01 -0.556404D+00 -0.212217D+01
      3  -0.303418D+01 -0.409821D+01 -0.263602D+01  0.629573D+01 -0.377686D+01
                21            22            23            24            25 
      1   0.629573D+01  0.112190D+01 -0.372293D+00 -0.559131D+01  0.386537D+01
      2  -0.377686D+01 -0.372293D+00  0.659071D+00 -0.327734D+01 -0.345597D+01
      3  -0.110983D+01 -0.559131D+01 -0.327734D+01  0.347375D+01 -0.308315D+00
                26            27            28            29            30 
      1  -0.345597D+01 -0.308315D+00 -0.554618D+01 -0.357960D+01  0.352742D+01
      2  -0.481252D+01  0.227124D+01 -0.357960D+01  0.556199D+01  0.129955D+01
      3   0.227124D+01  0.377529D+01  0.352742D+01  0.129955D+01 -0.321664D+00
                31            32            33            34            35 
      1  -0.122763D+01  0.429258D+01  0.149302D+01  0.264567D+01  0.139177D+01
      2   0.429258D+01 -0.501207D+01  0.293400D+01  0.139177D+01  0.214747D+01
      3   0.149302D+01  0.293400D+01  0.291344D+01 -0.172269D+00  0.202890D+01
                36            37            38            39            40 
      1  -0.172269D+00  0.128359D+01 -0.197554D+01 -0.605851D+01  0.344373D+00
      2   0.202890D+01 -0.197554D+01 -0.454152D+01 -0.229530D+01 -0.645667D+01
      3  -0.378288D+01 -0.605851D+01 -0.229530D+01 -0.245403D+01 -0.276960D+01
                41            42            43            44            45 
      1  -0.645667D+01 -0.276960D+01 -0.477055D+01 -0.240302D+01 -0.275777D+01
      2   0.716167D+01 -0.226047D+01 -0.240302D+01 -0.263127D-01 -0.530904D+01
      3  -0.226047D+01 -0.365838D+01 -0.275777D+01 -0.530904D+01  0.270281D+01
                46            47            48            49            50 
      1   0.108109D+02  0.468795D+01  0.352558D+00  0.423665D+01 -0.145408D+01
      2   0.468795D+01 -0.602831D+01 -0.490061D+01 -0.145408D+01 -0.132438D+01
      3   0.352558D+00 -0.490061D+01 -0.363760D+01 -0.272928D+01 -0.153326D+01
                51            52            53            54            55 
      1  -0.272928D+01  0.449623D+00 -0.193826D+01  0.308355D+00 -0.206645D+01
      2  -0.153326D+01 -0.193826D+01 -0.689638D+00  0.694747D+00 -0.171496D+01
      3   0.279436D+00  0.308355D+00  0.694747D+00  0.265127D+01  0.174863D+01
                56            57            58            59            60 
      1  -0.171496D+01  0.174863D+01 -0.223765D+01  0.533536D+01  0.155990D+01
      2   0.669351D+01  0.206294D+01  0.533536D+01 -0.415112D+01  0.186653D+01
      3   0.206294D+01  0.203186D+01  0.155990D+01  0.186653D+01  0.275051D+01
                61            62            63            64            65 
      1   0.575557D+00 -0.623785D+00  0.174110D+01  0.193563D+01  0.306800D+01
      2  -0.623785D+00  0.247503D+01  0.939732D+00  0.306800D+01 -0.338812D+00
      3   0.174110D+01  0.939732D+00 -0.789404D+01  0.688396D+01 -0.181853D+01
                66            67            68            69            70 
      1   0.688396D+01  0.197946D+01 -0.962872D+00 -0.189040D+01  0.567914D+01
      2  -0.181853D+01 -0.962872D+00 -0.161604D+00 -0.429164D+01 -0.208070D+01
      3   0.141090D+01 -0.189040D+01 -0.429164D+01  0.340912D+01  0.143823D+01
                71            72            73            74            75 
      1  -0.208070D+01  0.143823D+01 -0.205655D+02 -0.426291D+01  0.146716D+01
      2  -0.441356D+01  0.445878D+01 -0.426291D+01 -0.712906D+00  0.165696D+01
      3   0.445878D+01  0.123150D+01  0.146716D+01  0.165696D+01 -0.649443D+00
                76            77            78            79            80 
      1  -0.457214D+01 -0.445406D+01  0.860236D+00  0.384847D+00  0.304918D+00
      2  -0.445406D+01 -0.251166D+01  0.106361D+01  0.304918D+00  0.187820D+00
      3   0.860236D+00  0.106361D+01 -0.357282D+00 -0.388690D+01 -0.113825D+01
                81            82            83            84            85 
      1  -0.388690D+01 -0.169171D+01 -0.256296D+01 -0.616323D+01 -0.340640D+01
      2  -0.113825D+01 -0.256296D+01 -0.204062D+01 -0.530922D+00 -0.351786D+01
      3  -0.176847D+00 -0.616323D+01 -0.530922D+00 -0.248143D+01 -0.600026D+00
                86            87            88            89            90 
      1  -0.351786D+01 -0.600026D+00 -0.747875D+01 -0.605533D+00 -0.354511D+01
      2   0.800133D+01  0.263606D+01 -0.605533D+00  0.232245D+01 -0.391037D+01
      3   0.263606D+01 -0.418611D+01 -0.354511D+01 -0.391037D+01  0.357891D+01
                91            92            93            94            95 
      1   0.266223D+01 -0.693030D+00 -0.724854D+01 -0.139454D+01 -0.259063D+01
      2  -0.693030D+00 -0.234318D+01 -0.930326D+00 -0.259063D+01  0.815814D+01
      3  -0.724854D+01 -0.930326D+00 -0.241215D+01 -0.124641D+01  0.155861D+01
                96            97            98            99           100 
      1  -0.124641D+01 -0.637320D+01 -0.127747D+01 -0.241995D+01  0.309420D+01
      2   0.155861D+01 -0.127747D+01  0.296933D+01 -0.399148D+01 -0.525157D+00
      3  -0.479445D+01 -0.241995D+01 -0.399148D+01 -0.523512D+00 -0.324897D+01
               101           102           103           104           105 
      1  -0.525157D+00 -0.324897D+01 -0.144179D+01  0.890302D+00  0.197238D+01
      2   0.156709D+01  0.104057D+01  0.890302D+00 -0.142096D+01 -0.123944D+01
      3   0.104057D+01  0.456321D+01  0.197238D+01 -0.123944D+01 -0.358644D+01
               106           107           108           109           110 
      1  -0.245575D+01  0.684227D+00  0.294872D+01 -0.602470D+01  0.133158D+01
      2   0.684227D+00 -0.104585D+01 -0.144263D+01  0.133158D+01 -0.172613D+01
      3   0.294872D+01 -0.144263D+01 -0.845205D+01 -0.478735D+01  0.170955D+01
               111           112           113           114           115 
      1  -0.478735D+01  0.112535D+01 -0.113126D+01  0.119224D+01 -0.266498D+01
      2   0.170955D+01 -0.113126D+01  0.119362D+01 -0.108390D+01  0.100875D+01
      3  -0.488827D+01  0.119224D+01 -0.108390D+01  0.102787D+01 -0.266509D+01
               116           117           118           119           120 
      1   0.100875D+01 -0.266509D+01 -0.120760D+01  0.270431D+01 -0.859816D+00
      2  -0.698357D+00  0.845580D+00  0.270431D+01 -0.518693D+01  0.916403D+00
      3   0.845580D+00 -0.483400D+01 -0.859816D+00  0.916403D+00 -0.108927D+01
               121           122           123           124           125 
      1   0.192412D+01 -0.258992D+01  0.348363D+00 -0.424912D+00 -0.912653D-02
      2  -0.258992D+01  0.113373D+02 -0.222692D+01 -0.912653D-02 -0.102365D+01
      3   0.348363D+00 -0.222692D+01  0.153325D+01 -0.472318D+00  0.121929D+01
               126           127           128           129           130 
      1  -0.472318D+00  0.876432D+01  0.367458D+01 -0.294998D+01  0.190979D+01
      2   0.121929D+01  0.367458D+01  0.303090D+01 -0.157361D+01  0.171989D+01
      3  -0.419118D+00 -0.294998D+01 -0.157361D+01  0.258636D+01 -0.920709D+00
               131           132           133           134           135 
      1   0.171989D+01 -0.920709D+00 -0.253931D+01 -0.120761D+01  0.194898D+01
      2   0.235072D+01 -0.106739D+01 -0.120761D+01 -0.132601D+01  0.862448D+00
      3  -0.106739D+01  0.469541D+00  0.194898D+01  0.862448D+00 -0.161650D+01
               136           137           138           139           140 
      1  -0.118084D+00  0.215229D+00  0.155238D+01 -0.448217D+00 -0.489882D+00
      2   0.215229D+00 -0.854964D+00 -0.583081D+00 -0.489882D+00  0.388114D+00
      3   0.155238D+01 -0.583081D+00 -0.179198D+01  0.278727D+00  0.981109D+00
               141           142           143           144           145 
      1   0.278727D+00  0.212077D+01 -0.156030D+00 -0.190282D+01 -0.358646D+01
      2   0.981109D+00 -0.156030D+00  0.177930D+01  0.125973D+01  0.352843D+01
      3  -0.138092D+01 -0.190282D+01  0.125973D+01  0.121091D+02  0.311562D+00
               146           147           148           149           150 
      1   0.352843D+01  0.311562D+00  0.370786D+01 -0.405374D+01 -0.575090D+00
      2  -0.488064D+01 -0.101652D+01 -0.405374D+01  0.948611D+01  0.535218D+00
      3  -0.101652D+01 -0.106850D+01 -0.575090D+00  0.535218D+00  0.123485D+01
               151           152           153           154           155 
      1  -0.115265D+01  0.886646D+00 -0.480208D+00  0.517571D+01  0.340434D+01
      2   0.886646D+00 -0.166690D+01  0.112961D+01  0.340434D+01  0.358246D+01
      3  -0.480208D+00  0.112961D+01  0.844038D+00  0.363723D+01  0.213394D+01
               156           157           158           159           160 
      1   0.363723D+01  0.201468D+01  0.296856D+01  0.134237D+01  0.342833D+01
      2   0.213394D+01  0.296856D+01  0.377360D+01  0.249366D+01  0.207680D+01
      3   0.329835D+01  0.134237D+01  0.249366D+01  0.251939D+01  0.319347D+01
               161           162           163           164           165 
      1   0.207680D+01  0.319347D+01 -0.627352D+01 -0.222345D+01 -0.439150D+01
      2   0.282651D+01  0.337180D+01 -0.222345D+01 -0.259918D+01 -0.147038D+01
      3   0.337180D+01  0.468449D+01 -0.439150D+01 -0.147038D+01 -0.415084D+01
               166           167           168           169           170 
      1  -0.621400D+00 -0.107844D+01 -0.207095D+00 -0.393948D+01 -0.987136D+00
      2  -0.107844D+01 -0.422592D+00 -0.409461D+00 -0.987136D+00 -0.108196D+01
      3  -0.207095D+00 -0.409461D+00 -0.434581D+00 -0.326641D+01 -0.196012D+01
               171           172           173           174           175 
      1  -0.326641D+01 -0.848457D+00 -0.141866D+01 -0.290011D-01 -0.118276D+01
      2  -0.196012D+01 -0.141866D+01 -0.125186D+01  0.628393D+00 -0.106084D+01
      3  -0.443528D+01 -0.290011D-01  0.628393D+00 -0.593557D+00  0.497570D+00
               176           177           178           179           180 
      1  -0.106084D+01  0.497570D+00  0.767400D+00  0.110313D+01 -0.482411D+00
      2  -0.711344D+01  0.289938D+01  0.110313D+01  0.566112D+01 -0.276838D+01
      3   0.289938D+01 -0.238457D+01 -0.482411D+00 -0.276838D+01  0.357147D+01
               181           182           183           184           185 
      1   0.414329D+01 -0.219881D+01 -0.298773D+01 -0.139272D+01  0.172967D+01
      2  -0.219881D+01  0.344509D+01  0.218426D+01  0.172967D+01 -0.227357D+01
      3  -0.298773D+01  0.218426D+01  0.311837D+01  0.119747D+01 -0.104891D+01
               186           187           188           189           190 
      1   0.119747D+01 -0.277039D+01  0.143562D+01  0.193727D+01  0.107338D+01
      2  -0.104891D+01  0.143562D+01 -0.194236D+01 -0.257882D+01  0.101263D+01
      3  -0.153248D+01  0.193727D+01 -0.257882D+01 -0.395383D+01 -0.106977D+01
               191           192           193           194           195 
      1   0.101263D+01 -0.106977D+01  0.207697D+01  0.559275D+00 -0.620093D+00
      2   0.398544D+00 -0.303499D+00  0.559275D+00  0.112007D+01 -0.180127D+01
      3  -0.303499D+00  0.162912D+01 -0.620093D+00 -0.180127D+01  0.260133D+01
               196           197           198           199           200 
      1  -0.255592D+01 -0.210857D+00  0.252973D+01  0.146826D+01 -0.141590D+01
      2  -0.210857D+00 -0.218927D+01  0.218771D+01 -0.141590D+01  0.151406D+01
      3   0.252973D+01  0.218771D+01 -0.679150D+01  0.987534D-01  0.322358D+00
               201           202           203           204           205 
      1   0.987534D-01 -0.352915D+01  0.371132D+01  0.773151D+00  0.180896D+00
      2   0.322358D+00  0.371132D+01 -0.983799D+01 -0.163384D+01  0.474064D+00
      3   0.467644D+00  0.773151D+00 -0.163384D+01 -0.136812D+01  0.937207D+00
               206           207           208           209           210 
      1   0.474064D+00  0.937207D+00  0.918780D+01  0.125736D+01  0.345410D+01
      2  -0.134553D+01 -0.967106D+00  0.125736D+01  0.131689D+01  0.397930D+00
      3  -0.967106D+00 -0.955878D+00  0.345410D+01  0.397930D+00  0.228988D+01
               211           212           213           214           215 
      1   0.333313D+01  0.186372D+01  0.102623D+01  0.680490D+01  0.602064D+00
      2   0.186372D+01  0.221270D+00  0.476187D+00  0.602064D+00  0.968936D+00
      3   0.102623D+01  0.476187D+00  0.128805D+01  0.336386D+01  0.870405D+00
               216           217           218           219           220 
      1   0.336386D+01 -0.617825D+01 -0.402140D-02  0.315807D+01  0.277678D+00
      2   0.870405D+00 -0.402140D-02 -0.162620D+01  0.118351D+01 -0.809950D+00
      3   0.276566D+01  0.315807D+01  0.118351D+01 -0.379783D+01  0.436398D+00
               221           222           223           224           225 
      1  -0.809950D+00  0.436398D+00  0.270641D+01  0.462066D+00 -0.205071D+01
      2  -0.696613D+00  0.326124D+00  0.462066D+00  0.458501D+00 -0.143432D+00
      3   0.326124D+00  0.378158D+00 -0.205071D+01 -0.143432D+00  0.347041D+01
               226           227           228           229           230 
      1   0.456351D+01  0.307675D+00  0.438815D+01  0.163595D+01  0.107488D+01
      2   0.307675D+00  0.142579D+01  0.111358D+00  0.107488D+01  0.877266D-01
      3   0.438815D+01  0.111358D+00  0.513781D+01  0.138509D+01  0.806581D+00
               231           232           233           234           235 
      1   0.138509D+01  0.347687D+01  0.302810D+00  0.389425D+01  0.703510D+00
      2   0.806581D+00  0.302810D+00  0.695496D+00  0.626520D+00 -0.141575D+01
      3   0.277010D+01  0.389425D+01  0.626520D+00  0.702362D+01  0.759171D+00
               236           237           238           239           240 
      1  -0.141575D+01  0.759171D+00 -0.171316D+01  0.214465D+01 -0.248235D+00
      2   0.189451D+01 -0.175997D+00  0.214465D+01 -0.113253D+02  0.133235D+01
      3  -0.175997D+00  0.624781D+00 -0.248235D+00  0.133235D+01 -0.178091D+01
               241           242           243 
      1   0.152929D+00  0.355382D+00  0.301856D+00
      2   0.355382D+00 -0.124424D+01 -0.548818D+00
      3   0.301856D+00 -0.548818D+00 -0.362233D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.231655D+01  0.146984D+01  0.232878D+01  0.328157D+01 -0.782525D+01
      2   0.130422D+02 -0.165100D+00  0.419734D+01  0.237053D+01 -0.581527D+01
      3   0.104373D+01 -0.845694D+01 -0.308245D+01  0.167881D+00  0.992675D+01
                 6             7             8             9            10 
      1  -0.394225D+01  0.591012D+01  0.428874D+01  0.256597D+01 -0.548680D+01
      2   0.399240D+01 -0.301007D+01  0.446864D+01 -0.373634D+01 -0.352296D+01
      3   0.390469D+01 -0.329952D+01  0.400146D+01 -0.488478D+01 -0.249936D+01
                11            12            13            14            15 
      1  -0.310084D+01  0.753961D+00  0.194616D+01  0.537621D+01 -0.145106D+02
      2  -0.433098D+01  0.151685D+01 -0.446011D+01 -0.359988D+00  0.176870D+01
      3  -0.293040D+01  0.541916D+01  0.913934D+01  0.293301D+00  0.135420D+01
                16            17            18            19            20 
      1  -0.784183D+01 -0.993510D+00 -0.256104D+01  0.575264D+01  0.558521D+01
      2  -0.809481D+01  0.507515D+01 -0.700447D+01  0.677040D+01 -0.158385D+01
      3   0.459840D+01  0.353055D+01  0.254532D-02 -0.434429D+00 -0.547046D+01
                21            22            23            24            25 
      1   0.547335D+01 -0.123869D+01  0.253650D+01  0.804658D+01  0.638948D+01
      2   0.143882D+02 -0.103128D+01 -0.111869D+01 -0.103833D+02  0.500465D+01
      3   0.627773D+00  0.597382D-01 -0.165247D+00 -0.194866D+01  0.117746D+01
                26            27            28            29            30 
      1   0.129739D+02 -0.155996D+01 -0.680371D+01 -0.846804D+01 -0.138740D+01
      2  -0.965610D+01  0.108081D+01 -0.252482D+01 -0.235674D+01  0.615156D+01
      3  -0.220307D+01  0.617287D+00 -0.109143D+02 -0.158480D+02  0.781494D+01
                31            32            33            34            35 
      1  -0.747651D+01 -0.344415D+01 -0.138440D+02 -0.420335D+00 -0.694631D+01
      2  -0.320225D+00  0.629204D+01  0.406954D+01  0.891022D+00  0.300584D+01
      3  -0.445283D+01  0.155084D+02  0.693733D+00  0.666340D+01  0.216471D+01
                36            37            38            39            40 
      1   0.832161D+01  0.526882D+01  0.113816D+01  0.575148D+00  0.235580D+00
      2  -0.534828D+01 -0.780858D+01 -0.147562D+01  0.498994D+01 -0.187046D+01
      3  -0.209158D+01  0.706431D+01 -0.279175D+01 -0.518085D+01  0.730493D+01
                41            42            43            44            45 
      1   0.725942D+01  0.193894D+01 -0.108912D+01  0.104794D+02 -0.102318D+02
      2   0.241774D+01 -0.156158D+01 -0.286074D+01 -0.130254D+01  0.405510D+01
      3  -0.128163D+02 -0.196609D+01 -0.427511D+01 -0.256037D+01 -0.823982D-01
                46            47            48            49            50 
      1   0.407235D+01  0.186509D+01  0.553570D+01  0.435167D+01 -0.155385D+02
      2  -0.377789D+01  0.907375D+01 -0.320476D+01  0.768606D+01 -0.314025D+01
      3   0.519324D+00  0.180024D+01 -0.864251D+01  0.579088D+01  0.232094D+01
                51            52            53            54            55 
      1  -0.130178D+01  0.207645D+01  0.118666D+02  0.160386D+02 -0.670259D+01
      2  -0.782455D+00 -0.118730D+02  0.135653D+01  0.653269D+01  0.363480D+01
      3  -0.335792D+01 -0.894863D+01 -0.356151D+01  0.478143D+00 -0.714774D+01
                56            57            58            59            60 
      1   0.762768D+01 -0.232885D+01  0.620757D+01 -0.724818D+01 -0.789256D+01
      2   0.117177D+01 -0.514026D+01  0.127518D+01 -0.847365D+01 -0.276908D+01
      3   0.448814D+01  0.672478D+01  0.786758D+01  0.236348D+01  0.146017D+01
                61            62            63            64            65 
      1  -0.856039D+00  0.644707D+01  0.155822D+02  0.872395D+01 -0.199632D+01
      2  -0.100831D+02  0.286003D+00  0.948204D+01 -0.293514D+01  0.600066D+01
      3   0.474065D+01 -0.469463D+00  0.355239D+01 -0.177094D+01 -0.115920D+02
                66            67            68            69            70 
      1   0.519551D+01 -0.355993D+01 -0.942742D+01  0.106107D+02  0.445581D+01
      2   0.992423D+01  0.337087D+01  0.255633D+01 -0.484877D+01  0.337611D+01
      3  -0.163967D+02 -0.269709D+01  0.176771D+01  0.915415D+00 -0.132661D+02
                71            72            73            74            75 
      1   0.195196D+02 -0.284741D+01 -0.140074D+00 -0.531837D+00 -0.590859D+01
      2  -0.679651D+01  0.103168D+01  0.373684D+01  0.611193D+00  0.161399D+02
      3  -0.224984D+00 -0.486048D+00 -0.398194D+01 -0.173648D+02  0.132722D+00
                76            77            78            79            80 
      1  -0.310304D+01  0.317252D+01 -0.209372D+01  0.105921D+01 -0.137182D+01
      2  -0.227830D+01  0.290604D+01  0.410271D+01  0.498666D+01  0.471477D+00
      3  -0.328579D+01 -0.873684D+01  0.521136D+00  0.106581D+01  0.114753D+01
                81            82            83            84            85 
      1  -0.594177D+01 -0.318221D+01 -0.258046D-02 -0.222227D+01 -0.275860D+00
      2  -0.204545D+01 -0.154397D+02 -0.101702D+01 -0.621346D+01 -0.255517D+01
      3  -0.306532D+01  0.711448D+01  0.539995D+01  0.428229D+01  0.157671D+02
                86            87            88            89            90 
      1   0.105451D+01 -0.569867D+01 -0.531419D+01 -0.733234D+00  0.395773D+01
      2   0.750570D+01 -0.105924D+02 -0.164054D+02 -0.926736D+01  0.114833D+02
      3  -0.196833D+02 -0.794743D+01  0.585584D+01 -0.702064D+01  0.126288D+02
                91            92            93            94            95 
      1  -0.111424D+02 -0.543661D+01 -0.443813D+01 -0.757013D+01  0.205484D+02
      2  -0.138991D+02 -0.873151D+00  0.166148D+02  0.599988D-01  0.613298D+01
      3  -0.393756D+01  0.154152D+00  0.115317D+02  0.579047D+01 -0.571308D+01
                96            97            98            99           100 
      1  -0.690034D+01 -0.484088D+01  0.350773D+01 -0.109837D+02  0.481012D+00
      2  -0.185045D+01  0.824402D+01 -0.237767D+01  0.354601D+01  0.785773D+01
      3   0.212523D-01  0.922004D+01 -0.206427D+01  0.644181D+01  0.124699D+01
               101           102           103           104           105 
      1  -0.582415D+01 -0.269331D+01 -0.371503D+00  0.452861D+01 -0.494654D+00
      2  -0.182790D+01 -0.402000D+01 -0.329609D+01  0.174545D+01  0.232340D+01
      3  -0.172184D+01 -0.117936D+01  0.868343D+00  0.293709D+00  0.241199D+00
               106           107           108           109           110 
      1  -0.205089D+01  0.619556D+01  0.373595D+01 -0.472105D+00  0.456625D+01
      2  -0.723780D+01  0.178463D+01  0.415339D+01 -0.135649D+02  0.186025D+01
      3  -0.405304D+00  0.173826D+01  0.800307D+00 -0.377937D+01 -0.218701D+01
               111           112           113           114           115 
      1  -0.367948D+00  0.118422D+01 -0.208137D+01 -0.581249D+00  0.921159D-01
      2  -0.536632D+01  0.299157D+01 -0.195790D+01  0.234873D+01 -0.667943D+01
      3  -0.209558D+01  0.193928D+01  0.291579D+00  0.748524D+00 -0.195585D+01
               116           117           118           119           120 
      1   0.214776D+01  0.562348D+00 -0.366442D+00  0.383861D+01  0.350045D+01
      2   0.183391D+01 -0.422051D+01 -0.235076D+01  0.282853D+01  0.176672D-01
      3  -0.674886D+00 -0.174336D+01 -0.599357D+01  0.779890D+01 -0.224271D+01
               121           122           123           124           125 
      1   0.225871D+01 -0.657207D+01 -0.534281D+01  0.103180D+01  0.312131D+00
      2   0.260736D+01 -0.421190D+01  0.545540D+00 -0.177111D+01  0.115545D+01
      3   0.953542D+01 -0.124841D+02  0.181750D+01 -0.117201D+01  0.716301D+00
               126           127           128           129           130 
      1  -0.722916D+00  0.351797D+01 -0.104979D+01 -0.575983D+01  0.331865D+00
      2  -0.194422D+00  0.771694D+01  0.181566D+01  0.215639D+01  0.102465D+01
      3  -0.211719D+01  0.181933D+02  0.178454D+01 -0.482338D+01  0.353544D+01
               131           132           133           134           135 
      1   0.690501D+00 -0.109746D+01 -0.313871D+01  0.163572D+01  0.219202D+01
      2   0.725649D+00  0.262980D+00 -0.269590D+01 -0.677171D+00 -0.326231D+00
      3   0.123056D+01 -0.131066D+01 -0.510378D+01 -0.887276D+00  0.368961D+01
               136           137           138           139           140 
      1  -0.149400D+01  0.420071D+00  0.310774D+01  0.388405D+00 -0.163039D+01
      2  -0.155175D+01  0.747232D+00  0.177412D+01  0.596420D+00 -0.173815D+00
      3   0.440307D+00 -0.248181D+01  0.743231D+00  0.238945D-01 -0.162032D+01
               141           142           143           144           145 
      1   0.469022D+01  0.323976D+01  0.169590D+01 -0.214433D+02  0.407416D+01
      2   0.279529D+01 -0.360329D+01 -0.150310D+01 -0.123128D+02  0.407996D+01
      3   0.116167D+01  0.301782D+01  0.237770D+01 -0.307874D+01 -0.142789D+01
               146           147           148           149           150 
      1  -0.818425D+01  0.133133D+00 -0.505725D+01  0.136260D+02 -0.278548D+01
      2  -0.423943D+01  0.273039D+01 -0.471663D+01  0.664781D+01 -0.124486D+01
      3  -0.283804D+01 -0.107606D+01  0.474821D+01  0.534485D+01 -0.419485D+00
               151           152           153           154           155 
      1   0.159178D+01 -0.400922D+01  0.509808D+00 -0.247309D+01  0.140496D+01
      2   0.112254D+01 -0.226929D+01  0.656231D+00 -0.222909D+01 -0.646968D+00
      3  -0.140115D+01 -0.138267D+01  0.362040D+00  0.619564D+01 -0.522909D+00
               156           157           158           159           160 
      1  -0.434188D+01 -0.622024D+00 -0.209394D+00 -0.478782D+01 -0.223140D+01
      2   0.223361D+01 -0.179061D+01 -0.287233D+00  0.166486D+01 -0.250306D+01
      3   0.344939D+01  0.372218D+01  0.788861D+00  0.732178D+00  0.464423D+01
               161           162           163           164           165 
      1   0.351261D+00 -0.481628D+01 -0.542653D+01  0.179881D+01 -0.719207D+01
      2   0.128623D+01  0.266150D+01 -0.646330D+01 -0.121837D+01  0.179088D+00
      3  -0.712043D+00  0.169366D+01  0.130678D+02 -0.288780D+00  0.799421D+01
               166           167           168           169           170 
      1   0.128907D+00 -0.945557D-01 -0.172622D+01 -0.550711D+01 -0.199486D+00
      2  -0.669343D+00 -0.113748D+01  0.746229D-01 -0.454265D+01 -0.101373D+00
      3   0.173636D+01  0.165134D+01  0.736633D+00  0.827897D+01  0.309350D+00
               171           172           173           174           175 
      1  -0.647248D+01  0.148568D+01  0.257789D+01 -0.169108D+01  0.255264D+01
      2  -0.808517D-01 -0.620106D+00 -0.203640D+01  0.133786D+01 -0.723954D+00
      3   0.581104D+01  0.101689D+01  0.101063D+01  0.129243D+00  0.450730D+01
               176           177           178           179           180 
      1   0.137775D+02 -0.120973D+02 -0.149247D+01 -0.111052D+02  0.136724D+02
      2  -0.329619D+01  0.263394D+01 -0.461116D+00  0.328028D+01 -0.392911D+01
      3  -0.240340D+01  0.764920D+00 -0.285830D+01  0.173246D+01 -0.118796D+01
               181           182           183           184           185 
      1  -0.327220D+01 -0.188667D+01  0.462220D+01  0.486506D+00  0.751370D+00
      2   0.887631D+01 -0.362835D+01 -0.336661D+01 -0.268273D+01  0.233865D+01
      3  -0.122219D+02  0.392150D+01  0.698242D+01  0.525852D+01 -0.357251D+01
               186           187           188           189           190 
      1  -0.347569D+01  0.210443D+01 -0.465835D+00 -0.463560D+01 -0.113273D+01
      2   0.154384D+01 -0.625050D+01  0.291507D+01  0.338480D+01 -0.223119D+01
      3  -0.286700D+01  0.728028D+01 -0.252928D+01 -0.509300D+01 -0.269154D+01
               191           192           193           194           195 
      1  -0.709051D+00  0.670565D+00 -0.713535D-01 -0.277853D+01  0.160680D+01
      2  -0.262575D+00  0.411111D+01  0.569027D+00 -0.534456D+01  0.824724D+01
      3  -0.204937D+01  0.152323D+01 -0.391546D+00 -0.510842D+01  0.590612D+01
               196           197           198           199           200 
      1   0.106530D+01  0.539196D+01 -0.445608D+01  0.387287D+00 -0.621188D+00
      2   0.126251D+01  0.720500D+01 -0.194262D+02  0.372004D+00  0.323243D+00
      3   0.731758D+00  0.779172D+01 -0.780434D+01  0.289947D+01 -0.418931D+01
               201           202           203           204           205 
      1   0.666117D+00  0.796007D-01  0.163370D+01 -0.402505D+01  0.426136D+00
      2   0.206614D+01  0.951019D+00 -0.422406D+01 -0.490194D+01  0.106775D+01
      3  -0.809958D+00 -0.293636D+01  0.249941D+02  0.397622D+01 -0.866252D+00
               206           207           208           209           210 
      1   0.857743D+00 -0.862028D+00  0.225984D+01  0.114092D+01  0.105392D+01
      2  -0.209714D+01 -0.257753D+01  0.956482D+01  0.193211D+01  0.102090D+02
      3   0.400265D+01  0.189662D+01 -0.812393D+01 -0.717392D+01 -0.341337D+01
               211           212           213           214           215 
      1   0.980363D+00  0.829707D+00 -0.294806D+00  0.260965D+01  0.201017D+01
      2   0.272012D+01  0.126200D+01  0.435676D+01  0.695506D+01  0.245354D+01
      3  -0.471389D+01 -0.221720D+01 -0.158976D+01 -0.498978D+01 -0.449469D+01
               216           217           218           219           220 
      1   0.102329D+01  0.533458D+01 -0.401648D+01 -0.274101D+01 -0.195325D+01
      2   0.899996D+01  0.187903D+02 -0.572813D+00 -0.646455D+01 -0.842543D+00
      3  -0.422519D+01  0.984321D+01 -0.211536D+01 -0.437957D+01  0.619274D+00
               221           222           223           224           225 
      1  -0.785145D-01  0.151496D+00 -0.234057D+01  0.221285D+01  0.354667D+01
      2   0.237620D+01 -0.412838D+00 -0.938378D+01 -0.626868D+00  0.539974D+01
      3   0.149488D+01 -0.829189D+00 -0.415929D+01  0.318774D+00  0.265509D+01
               226           227           228           229           230 
      1   0.608081D+01  0.494929D+01  0.629044D+01  0.345075D+01  0.186712D+01
      2  -0.586022D+01 -0.109047D+01 -0.703164D+00 -0.242838D+01 -0.998013D+00
      3  -0.490112D+01 -0.397197D+01 -0.472559D+01 -0.170767D+01 -0.162520D+01
               231           232           233           234           235 
      1   0.347710D+01  0.524308D+01  0.501324D+01  0.938442D+01 -0.166080D+01
      2   0.671532D+00 -0.678429D+01 -0.437389D-01  0.126729D+00 -0.213773D-01
      3  -0.209453D+01 -0.454164D+01 -0.240233D+01 -0.511853D+01  0.275079D+00
               236           237           238           239           240 
      1   0.344502D+01  0.116535D+01  0.379359D+01 -0.218033D+02 -0.446000D+01
      2   0.204090D+01  0.571627D+00  0.344302D+01 -0.236760D+01 -0.205443D+01
      3  -0.114863D+01 -0.389403D+00  0.385983D+01  0.877891D+01 -0.978723D+00
               241           242           243 
      1   0.733474D+00 -0.229759D+01 -0.247633D+01
      2  -0.727148D+00 -0.762273D+00 -0.103783D+01
      3  -0.319305D-01  0.135602D+01  0.349047D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.149094D+02  0.508095D+01  0.194159D+02  0.687594D+01  0.103039D+02
      2  -0.258511D+00 -0.374282D+01 -0.120415D+02 -0.552124D+01 -0.210351D+01
      3   0.151679D+02 -0.133813D+01 -0.737438D+01 -0.135471D+01 -0.820035D+01
      4  -0.673992D-01  0.553374D+01 -0.654421D+01  0.719312D+01 -0.160722D+02
      5   0.172206D+02 -0.131338D+01  0.997192D+01  0.141494D+01  0.509160D+00
      6  -0.999750D+01  0.288448D+01 -0.160816D+01  0.421549D+01 -0.644368D+01
                 6             7             8             9            10 
      1  -0.567679D+01  0.238122D+02 -0.356354D+01  0.128031D+02  0.233753D+01
      2  -0.486043D+01 -0.126940D+02 -0.231108D+01 -0.560452D+01 -0.165589D+01
      3   0.105372D+02 -0.111182D+02  0.587462D+01 -0.719854D+01 -0.681640D+00
      4  -0.710671D+00 -0.552140D+01  0.612611D-01  0.295100D+01  0.776925D+01
      5   0.809301D+01  0.128354D+02  0.702902D+01 -0.231328D+01 -0.358132D+01
      6  -0.525443D+01 -0.204729D+01 -0.590573D+01  0.403654D+01  0.920401D+01
                11            12            13            14            15 
      1   0.611647D+01  0.132857D+01  0.101397D+02 -0.665570D+00 -0.175394D+02
      2  -0.233659D+01  0.543478D+01  0.366237D+00  0.923202D+01 -0.425625D+01
      3  -0.377988D+01 -0.676335D+01 -0.105060D+02 -0.856645D+01  0.217957D+02
      4   0.360025D+01  0.371422D+01  0.236099D+00  0.245709D+01 -0.179243D+01
      5  -0.258251D+01  0.520362D+01 -0.322849D+01 -0.256610D+01 -0.547453D+01
      6  -0.204889D+01  0.144042D+01 -0.516520D+00  0.391831D+01 -0.535084D+01
                16            17            18            19            20 
      1  -0.203546D+02 -0.886327D+01 -0.201443D+01  0.875153D+01 -0.332902D+01
      2   0.781655D+01 -0.437901D+01  0.343417D+00  0.160577D+02 -0.146155D+02
      3   0.125380D+02  0.132423D+02  0.167101D+01 -0.248092D+02  0.179445D+02
      4   0.837259D+01 -0.595562D+01  0.324180D+01  0.537594D+01 -0.352537D+01
      5   0.232185D+01 -0.300369D+00 -0.160847D+00 -0.125125D+02  0.379735D+01
      6  -0.163290D+00  0.304068D+00  0.138493D+02  0.556508D+01 -0.816723D+00
                21            22            23            24            25 
      1  -0.118747D+02 -0.154120D+02 -0.760603D+01  0.185730D+02 -0.235377D+01
      2  -0.604049D+01 -0.915234D+01 -0.798846D+01  0.105263D+01 -0.779792D+01
      3   0.179152D+02  0.245643D+02  0.155945D+02 -0.196256D+02  0.101517D+02
      4   0.413002D+01 -0.344657D+01 -0.436351D+01 -0.261297D+01  0.194379D+01
      5  -0.275527D+02  0.769595D+01  0.350815D+01  0.144235D+02 -0.190024D+02
      6   0.125938D+02 -0.370649D+01 -0.519969D+01  0.789455D+01  0.996299D+01
                26            27            28            29            30 
      1   0.854538D+01  0.471059D+01 -0.632339D+01 -0.198604D+02  0.780431D+01
      2   0.151126D+01  0.165648D+02 -0.870670D+01  0.318241D+02  0.149580D+01
      3  -0.100566D+02 -0.212754D+02  0.150301D+02 -0.119636D+02 -0.930011D+01
      4  -0.229189D+01  0.489051D+01 -0.238481D+02 -0.161014D+02  0.163191D+02
      5   0.101979D+02  0.449031D+01  0.152880D+02  0.103311D+02 -0.355113D+01
      6   0.600020D+01 -0.633414D+01  0.197680D+02 -0.173405D+01 -0.672212D+01
                31            32            33            34            35 
      1  -0.125608D+02  0.202467D+02 -0.877759D-01  0.628900D+01  0.156900D+01
      2   0.220587D+02 -0.298930D+02  0.121216D+02  0.541350D+00  0.926249D+01
      3  -0.949788D+01  0.964628D+01 -0.120338D+02 -0.683035D+01 -0.108315D+02
      4  -0.498231D+01  0.156499D+02  0.274129D+01  0.133567D+02  0.394973D+01
      5   0.368627D+01 -0.431763D+01  0.157423D+00 -0.600193D+01  0.644169D+00
      6  -0.183125D+01  0.117586D+02  0.215318D+01 -0.423031D+01  0.275672D+01
                36            37            38            39            40 
      1  -0.981827D+01  0.120309D+00  0.415262D+01 -0.104738D+01  0.367650D+01
      2   0.767034D+01  0.255537D+01 -0.110607D+02 -0.412762D+01 -0.757120D+01
      3   0.214792D+01 -0.267568D+01  0.690809D+01  0.517499D+01  0.389469D+01
      4   0.341122D+01  0.606115D+00 -0.100394D+02 -0.155149D+02 -0.901083D+01
      5  -0.170935D+01 -0.744093D+01 -0.113189D+02 -0.128461D+02 -0.596349D+01
      6  -0.120841D+02 -0.167876D+02 -0.141764D+02 -0.448558D+01 -0.107549D+02
                41            42            43            44            45 
      1  -0.106824D+02 -0.513381D+00 -0.377836D+01 -0.122547D+01  0.379135D+01
      2   0.143870D+02 -0.142137D+01  0.902568D+00 -0.533154D+00 -0.103855D+02
      3  -0.370460D+01  0.193475D+01  0.287580D+01  0.175862D+01  0.659417D+01
      4  -0.400530D+01 -0.710073D+01 -0.117892D+02 -0.639694D+01 -0.154203D+02
      5  -0.725715D+01 -0.945996D+01 -0.105579D+02 -0.126185D+02 -0.786955D+01
      6   0.760756D+00 -0.113078D+02 -0.873597D+01 -0.151607D+02  0.290301D+01
                46            47            48            49            50 
      1  -0.727101D+02 -0.933936D+01  0.448893D+01 -0.245655D+02  0.245234D+01
      2   0.346431D+02 -0.276413D+01 -0.488115D+01  0.113640D+02 -0.592223D+01
      3   0.380670D+02  0.121035D+02  0.392219D+00  0.132014D+02  0.346989D+01
      4  -0.191473D+02 -0.126861D+02  0.359830D+01 -0.108019D+01 -0.583116D+01
      5   0.707426D+01  0.620035D+01 -0.129355D+02  0.393850D+01  0.659389D+00
      6   0.813682D+00  0.141949D+01 -0.806526D+01  0.393034D+01 -0.676516D+01
                51            52            53            54            55 
      1   0.169436D+02  0.189651D+01  0.137695D+02  0.317887D-01  0.339345D+01
      2  -0.352761D+00  0.204735D+01 -0.817297D+01 -0.216748D+01 -0.926501D+01
      3  -0.165908D+02 -0.394386D+01 -0.559649D+01  0.213569D+01  0.587156D+01
      4   0.263351D+01 -0.955771D+00  0.542330D+01 -0.365818D+01  0.387798D+01
      5  -0.686860D+01  0.462887D+01 -0.126263D+01 -0.736689D-01 -0.211363D+01
      6  -0.499780D+01 -0.605058D+00 -0.223088D+00 -0.849193D+01  0.513677D+01
                56            57            58            59            60 
      1  -0.902690D+01 -0.884739D+01  0.226955D+01 -0.224716D+01 -0.114050D+02
      2   0.217986D+02  0.229658D+01  0.121275D+02 -0.154703D+02 -0.865971D+00
      3  -0.127717D+02  0.655081D+01 -0.143970D+02  0.177175D+02  0.122710D+02
      4  -0.184200D+02  0.146086D+00 -0.108994D+02  0.236748D+02 -0.152058D+01
      5  -0.235672D+01 -0.718296D+00  0.231600D-01  0.417224D+01 -0.494705D-01
      6   0.125980D+02  0.428548D+01  0.506156D+01  0.160704D+01  0.116643D+02
                61            62            63            64            65 
      1   0.327058D+01 -0.373586D+01  0.140402D+02  0.810437D+01 -0.718385D+01
      2  -0.748196D+01  0.108970D+02  0.206960D+02  0.515484D+01  0.310815D+01
      3   0.421137D+01 -0.716114D+01 -0.347362D+02 -0.132592D+02  0.407570D+01
      4   0.444096D+01 -0.444632D+01  0.855147D+01 -0.615148D+01 -0.127847D+02
      5   0.107245D+01  0.141720D+01  0.185250D+02 -0.113484D+02 -0.109566D+02
      6   0.202455D+01  0.715883D+01 -0.119589D+02 -0.281537D+02  0.983794D+01
                66            67            68            69            70 
      1  -0.125131D+02 -0.735780D+01 -0.136689D+01 -0.297543D+01 -0.106902D+02
      2   0.156168D+02  0.164459D+01 -0.832521D+01  0.236860D+02  0.144567D+02
      3  -0.310375D+01  0.571322D+01  0.969210D+01 -0.207106D+02 -0.376652D+01
      4  -0.252732D+02 -0.101923D+02  0.144802D+01  0.117498D+02 -0.228917D+02
      5  -0.240559D+02 -0.649657D+01  0.944456D+01  0.341422D+00 -0.209177D+02
      6  -0.144158D+01  0.957923D+01  0.179978D+02 -0.927361D+01 -0.109971D+01
                71            72            73            74            75 
      1  -0.745255D+01  0.450452D+01  0.133757D+03  0.179821D+02 -0.506523D+01
      2   0.279980D+02 -0.981878D+01 -0.644426D+02 -0.419844D+01  0.362657D+01
      3  -0.205454D+02  0.531425D+01 -0.693142D+02 -0.137836D+02  0.143866D+01
      4   0.126537D+02 -0.675603D+01  0.246502D+02  0.285247D+02 -0.219971D+01
      5  -0.139057D+01 -0.259472D+01 -0.978336D+01 -0.320227D+01  0.257051D+02
      6  -0.137848D+02 -0.908702D+01 -0.610540D+01 -0.356767D+01  0.522994D+01
                76            77            78            79            80 
      1   0.219016D+02  0.163075D+02 -0.422829D+01  0.284935D+01 -0.320870D+01
      2  -0.936232D+01 -0.710859D+00  0.201740D+01  0.184454D+01  0.139665D+01
      3  -0.125393D+02 -0.155966D+02  0.221089D+01 -0.469389D+01  0.181205D+01
      4   0.310659D+02  0.167212D+02 -0.400500D+01 -0.431193D+01 -0.276544D+01
      5  -0.629437D+01 -0.476804D+01  0.751411D+01  0.258511D+02  0.596414D+01
      6  -0.445333D+01 -0.262088D+01  0.750526D+01  0.327422D+01  0.579074D+01
                81            82            83            84            85 
      1   0.122901D+02 -0.651051D+01 -0.158656D+02 -0.335538D+02 -0.233458D+02
      2  -0.125513D+02  0.655307D+01  0.118542D+02  0.173403D+02  0.196037D+02
      3   0.261188D+00 -0.425574D-01  0.401137D+01  0.162135D+02  0.374203D+01
      4   0.505064D+01 -0.140886D+02 -0.935543D+01  0.130113D+01 -0.148358D+02
      5  -0.572220D+01 -0.336131D+02 -0.180126D+01 -0.149710D+02 -0.601907D+01
      6  -0.821150D+00  0.572421D+01  0.143624D+01  0.115788D+01  0.195390D+01
                86            87            88            89            90 
      1  -0.225622D+01 -0.795689D+00 -0.401746D+02 -0.105812D+01 -0.188216D+02
      2  -0.130110D+02 -0.335192D+01  0.203889D+02 -0.382578D+01  0.150532D+02
      3   0.152672D+02  0.414761D+01  0.197857D+02  0.488389D+01  0.376839D+01
      4   0.370668D+02  0.997576D+01 -0.177979D+01  0.917498D+01 -0.134718D+02
      5   0.990072D+01 -0.169187D+02 -0.217479D+02 -0.156500D+02  0.133367D+02
      6  -0.752768D+01  0.193767D+01  0.120639D+01  0.211955D+01 -0.175213D+01
                91            92            93            94            95 
      1   0.152192D+02 -0.272765D+01 -0.133275D+02 -0.547973D+01  0.527375D+01
      2   0.151098D+02  0.114280D+02  0.182530D+02  0.153079D+02 -0.330508D+02
      3  -0.303291D+02 -0.870038D+01 -0.492558D+01 -0.982821D+01  0.277771D+02
      4  -0.772223D+01 -0.295035D+01  0.917088D+01 -0.375062D+01  0.206074D+02
      5  -0.554051D+01 -0.327773D+01 -0.307989D+02 -0.671329D+01 -0.401442D+01
      6   0.688666D+01 -0.344001D+01 -0.513812D+01 -0.570350D+01  0.169442D+02
                96            97            98            99           100 
      1   0.695768D+01 -0.115177D+02  0.836921D+01 -0.121543D+02 -0.240318D+01
      2   0.993191D+01  0.181301D+02  0.152133D+01  0.186786D+02 -0.120294D+02
      3  -0.168896D+02 -0.661234D+01 -0.989054D+01 -0.652432D+01  0.144326D+02
      4   0.220754D+01  0.831716D+01  0.561245D+01 -0.380855D+01 -0.176043D+01
      5  -0.136047D+02 -0.293173D+02 -0.973483D+01 -0.125674D+02 -0.130699D+02
      6   0.106009D+02 -0.204843D+01  0.119801D+02 -0.126122D+02 -0.488280D-01
               101           102           103           104           105 
      1  -0.271649D+00  0.991084D+01  0.412118D+01 -0.382776D+01 -0.108131D+02
      2   0.548296D+01  0.150926D+02  0.442913D+01 -0.171773D+01 -0.852705D+01
      3  -0.521131D+01 -0.250035D+02 -0.855030D+01  0.554550D+01  0.193401D+02
      4   0.285240D+01 -0.520738D-01  0.210105D+01 -0.142905D+01 -0.128487D+01
      5   0.303371D+01  0.190506D+02  0.363279D+01 -0.461795D+01 -0.598001D+01
      6  -0.579088D+01 -0.153510D+01 -0.302631D+01  0.655936D+01  0.741669D+01
               106           107           108           109           110 
      1   0.585110D+01 -0.332000D+01 -0.219607D+02  0.475599D+01  0.251328D+01
      2   0.100755D+02 -0.469473D+01 -0.278233D+02 -0.157103D+02  0.122852D+01
      3  -0.159266D+02  0.801473D+01  0.497841D+02  0.109543D+02 -0.374180D+01
      4  -0.825749D-01 -0.183444D+01 -0.171126D+01 -0.114939D+02  0.719918D+01
      5   0.153091D+02 -0.455007D+01 -0.179582D+02  0.287453D+02 -0.607988D+01
      6  -0.147876D+01  0.716150D+01  0.208337D+01 -0.934766D+01  0.932371D+01
               111           112           113           114           115 
      1  -0.328046D+01  0.177113D+01 -0.190057D+01  0.245189D+01 -0.205581D+01
      2  -0.132146D+02  0.179317D+01  0.209308D+01  0.477909D+00 -0.778666D+01
      3   0.164951D+02 -0.356430D+01 -0.192504D+00 -0.292980D+01  0.984246D+01
      4  -0.865488D+01  0.763077D+01 -0.296772D+01  0.426364D+01 -0.530606D+01
      5   0.258743D+02 -0.592169D+01  0.486689D+01 -0.614514D+01  0.171464D+02
      6  -0.113103D+02  0.653692D+01 -0.663274D+01  0.885895D+01 -0.736041D+01
               116           117           118           119           120 
      1   0.190326D+01 -0.841102D+01 -0.338843D+01  0.152008D+02 -0.468531D+01
      2  -0.527994D-01 -0.147884D+02  0.109674D+02 -0.274501D+02  0.314899D+01
      3  -0.185046D+01  0.231994D+02 -0.757894D+01  0.122494D+02  0.153632D+01
      4   0.264230D+01 -0.622696D+01 -0.690591D+01  0.144008D+02 -0.384676D+01
      5  -0.495278D+01  0.166575D+02  0.143226D+01 -0.467213D+01  0.286626D+01
      6   0.629958D+01 -0.933119D+01 -0.675929D+01  0.106953D+02 -0.621345D+01
               121           122           123           124           125 
      1   0.884343D+01 -0.378777D+02  0.746624D+01 -0.158713D+01  0.448469D+01
      2  -0.146365D+02  0.686542D+02 -0.984378D+01  0.826761D-01 -0.438317D+01
      3   0.579312D+01 -0.307765D+02  0.237754D+01  0.150446D+01 -0.101519D+00
      4   0.117440D+02 -0.101897D+02  0.755837D+00 -0.210961D+01  0.396786D+00
      5  -0.389193D+01  0.308015D+01 -0.861170D+00  0.269071D+01 -0.877160D+00
      6   0.454094D+01 -0.250962D+02  0.135216D+02 -0.299521D+01  0.121257D+02
               126           127           128           129           130 
      1  -0.589721D+01  0.226269D+02  0.333452D+01 -0.211884D+01  0.200980D+01
      2   0.548218D+01 -0.350764D+01  0.637549D+01  0.819846D+00  0.329511D+01
      3   0.415035D+00 -0.191192D+02 -0.971001D+01  0.129900D+01 -0.530491D+01
      4  -0.279475D+01  0.384325D+02  0.241201D+02 -0.138327D+02  0.150200D+02
      5   0.121197D+01 -0.231747D+02 -0.106930D+02  0.131703D+02 -0.527170D+01
      6  -0.368410D+01 -0.174168D+02 -0.119397D+02  0.135001D+02 -0.656761D+01
               131           132           133           134           135 
      1  -0.160318D+01  0.795388D+00 -0.294328D+01  0.979095D+00  0.110571D+01
      2   0.103721D+02 -0.363759D+01  0.238319D+01 -0.327571D+01 -0.419410D+01
      3  -0.876888D+01  0.284220D+01  0.560090D+00  0.229661D+01  0.308839D+01
      4   0.105530D+02 -0.544826D+01 -0.112735D+02 -0.700332D+01  0.846406D+01
      5  -0.492879D+01  0.359803D+01  0.132824D+02  0.542770D+01 -0.866597D+01
      6  -0.882188D+01  0.548466D+01  0.101943D+02  0.806607D+01 -0.836229D+01
               136           137           138           139           140 
      1  -0.136528D+01  0.152638D+01  0.388983D+00  0.262592D+01 -0.404585D+01
      2  -0.468201D+01 -0.149500D+01  0.552819D+01 -0.369342D+01  0.154678D+01
      3   0.604729D+01 -0.313872D-01 -0.591717D+01  0.106749D+01  0.249906D+01
      4  -0.132353D+01  0.548471D+01  0.440844D+01  0.137827D+01 -0.299993D+01
      5  -0.596899D+01  0.163946D+01  0.129022D+02 -0.289304D+01 -0.247483D+01
      6   0.237968D+01 -0.310966D+01 -0.337873D+01 -0.130261D+01  0.192765D+01
               141           142           143           144           145 
      1   0.339895D+00 -0.179086D+01 -0.654352D+01 -0.296946D+02  0.766486D+01
      2   0.752381D+01  0.664259D+01  0.114448D+01 -0.279013D+02  0.676229D+01
      3  -0.786371D+01 -0.485173D+01  0.539905D+01  0.575959D+02 -0.144272D+02
      4  -0.135219D+01  0.464357D+01 -0.377762D+01 -0.894530D+01 -0.208743D+02
      5   0.445793D+01  0.116578D+02 -0.371842D+01 -0.262555D+02 -0.492608D+01
      6   0.531299D+01 -0.472460D+01  0.106443D+02  0.260262D+02  0.467915D+01
               146           147           148           149           150 
      1   0.760037D+00  0.208342D+01 -0.309238D+00 -0.157929D+02 -0.220013D+01
      2  -0.148388D+02 -0.195063D+01 -0.130093D+02  0.428935D+02  0.155155D+01
      3   0.140788D+02 -0.132783D+00  0.133186D+02 -0.271006D+02  0.648584D+00
      4   0.271888D+02  0.430933D+01  0.220666D+02 -0.355697D+02 -0.323607D+01
      5   0.727218D+01  0.517188D+01  0.530042D+01 -0.521981D+01 -0.397409D+01
      6  -0.879610D+01 -0.526767D+01 -0.693805D+01  0.145364D+02  0.806981D+01
               151           152           153           154           155 
      1   0.320780D+01 -0.362217D+00 -0.477480D+01  0.750313D+01 -0.795919D+00
      2   0.103613D+01 -0.723056D+01  0.179052D+01 -0.816647D+00  0.709213D+01
      3  -0.424393D+01  0.759278D+01  0.298428D+01 -0.668649D+01 -0.629621D+01
      4  -0.487442D+01  0.577782D+01 -0.492333D+01  0.206855D+02  0.194125D+02
      5   0.127998D+01 -0.294205D+01 -0.163380D+01  0.181198D+02  0.110139D+02
      6  -0.248219D+01  0.535272D+01  0.261178D+01  0.141187D+02  0.123126D+02
               156           157           158           159           160 
      1   0.124717D+01 -0.192272D+01 -0.643174D+01 -0.443309D+01  0.991009D+00
      2  -0.148055D+01  0.679777D+01  0.137345D+02  0.547865D+01 -0.193813D+01
      3   0.233383D+00 -0.487505D+01 -0.730273D+01 -0.104556D+01  0.947120D+00
      4   0.139449D+02  0.157665D+02  0.158848D+02  0.100578D+02  0.127707D+02
      5   0.158333D+02  0.758687D+01  0.954970D+01  0.741629D+01  0.155437D+02
      6   0.126054D+02  0.100170D+02  0.143570D+02  0.155016D+02  0.122451D+02
               161           162           163           164           165 
      1  -0.537111D+01 -0.702127D+01  0.111866D+02 -0.255972D+01  0.164546D+01
      2   0.458032D+01 -0.488850D+00 -0.120477D+02  0.618702D+01 -0.105407D+02
      3   0.790785D+00  0.751012D+01  0.861095D+00 -0.362730D+01  0.889522D+01
      4   0.114368D+02  0.135402D+02  0.250284D+02  0.150074D+02  0.177836D+02
      5   0.101752D+02  0.170174D+02  0.262588D+02  0.909897D+01  0.230207D+02
      6   0.181141D+02  0.203592D+02  0.178331D+02  0.107854D+02  0.167124D+02
               166           167           168           169           170 
      1  -0.699013D+00 -0.767116D+00 -0.115635D+01  0.307940D+01 -0.285171D+01
      2   0.346489D+01  0.297094D+01  0.119024D+01 -0.980367D+01  0.322444D+00
      3  -0.276587D+01 -0.220382D+01 -0.338921D-01  0.672427D+01  0.252927D+01
      4   0.788312D+01  0.541865D+01  0.341619D+01  0.161870D+02  0.635051D+01
      5   0.274324D+01  0.392947D+01  0.162075D+01  0.201803D+02  0.577180D+01
      6   0.447873D+01  0.294129D+01  0.655182D+01  0.123937D+02  0.125788D+02
               171           172           173           174           175 
      1  -0.492478D+01 -0.769584D+00 -0.118886D-01  0.759102D+00 -0.251076D+00
      2  -0.836449D+01  0.357831D+01  0.582960D+01 -0.384089D+01  0.558594D+01
      3   0.132893D+02 -0.280873D+01 -0.581771D+01  0.308179D+01 -0.533487D+01
      4   0.125835D+02  0.531120D+01  0.103188D+02 -0.159702D+01  0.101605D+02
      5   0.189253D+02  0.573147D+00  0.397625D+00  0.500033D+01  0.519590D+00
      6   0.179353D+02  0.628908D+00 -0.206358D+01  0.222321D+01 -0.207123D+01
               176           177           178           179           180 
      1  -0.170760D+02  0.540544D+01  0.310618D+00  0.113877D+02 -0.485656D+01
      2   0.437421D+02 -0.180249D+02 -0.477358D+01 -0.297718D+02  0.128761D+02
      3  -0.266661D+02  0.126195D+02  0.446297D+01  0.183842D+02 -0.801951D+01
      4   0.117603D+02 -0.542223D+01 -0.559068D+01 -0.981086D+01  0.483000D+01
      5  -0.301731D+01  0.233134D+01  0.315431D+01  0.281644D+01 -0.351081D+01
      6  -0.836739D+01  0.125797D+02  0.157540D+01  0.107258D+02 -0.154895D+02
               181           182           183           184           185 
      1  -0.396079D+01  0.118286D+02  0.114939D+02  0.616987D+01 -0.979446D+01
      2   0.494889D+00 -0.129093D+02 -0.259093D+01 -0.655211D+01  0.124665D+02
      3   0.346590D+01  0.108075D+01 -0.890301D+01  0.382239D+00 -0.267207D+01
      4  -0.183146D+02  0.113668D+02  0.127371D+02  0.900640D+01 -0.851419D+01
      5  -0.124869D+02  0.691755D+01  0.113448D+02  0.414883D+01 -0.594082D+01
      6   0.148881D+02 -0.161606D+02 -0.168087D+02 -0.906290D+01  0.107266D+02
               186           187           188           189           190 
      1  -0.715541D+01  0.793262D+01 -0.100211D+02 -0.139928D+02  0.700833D+01
      2   0.368553D+01 -0.233134D+01  0.514555D+01  0.104563D+01 -0.624987D+01
      3   0.346987D+01 -0.560129D+01  0.487551D+01  0.129472D+02 -0.758463D+00
      4  -0.684767D+01  0.121932D+02 -0.742216D+01 -0.772777D+01  0.408072D+01
      5  -0.363122D+01  0.109904D+02 -0.383132D+01 -0.734797D+01 -0.579829D+01
      6   0.127550D+02 -0.103698D+02  0.171808D+02  0.204613D+02 -0.140050D+01
               191           192           193           194           195 
      1   0.506602D+01 -0.390647D+01  0.114264D+02 -0.220373D+00 -0.152161D+01
      2  -0.341765D+01  0.527502D+01 -0.751003D+01  0.134136D+01  0.371219D+01
      3  -0.164838D+01 -0.136856D+01 -0.391632D+01 -0.112099D+01 -0.219058D+01
      4   0.383338D+01 -0.269230D+01  0.427945D+01  0.401669D+01 -0.747992D+01
      5  -0.379526D+01  0.133677D+02 -0.501015D+01 -0.731460D+01  0.124155D+02
      6  -0.794873D+00 -0.985493D-01 -0.129876D+00 -0.222743D+01  0.241697D+01
               196           197           198           199           200 
      1  -0.120072D+02 -0.482949D-01  0.554264D+01  0.757111D+01 -0.541661D+01
      2   0.909578D+01  0.315660D+01 -0.157845D+02 -0.239523D+00 -0.536443D+00
      3   0.291141D+01 -0.310830D+01  0.102418D+02 -0.733158D+01  0.595305D+01
      4  -0.115532D+01 -0.102351D+02  0.861220D+01 -0.859287D+01  0.147061D+02
      5   0.184275D+02  0.994255D+01 -0.326707D+02  0.744923D+00  0.330600D+01
      6  -0.137566D+01  0.395591D+01  0.119444D+01  0.154868D+01 -0.156887D+01
               201           202           203           204           205 
      1   0.139433D+01 -0.123722D+02 -0.360469D+01  0.443183D+00  0.178296D+01
      2  -0.108155D+01 -0.175652D+01  0.261981D+02  0.208431D+01 -0.139236D+01
      3  -0.312784D+00  0.141288D+02 -0.225934D+02 -0.252749D+01 -0.390600D+00
      4   0.282072D+01  0.254512D+02 -0.487077D+02 -0.764884D+01  0.352011D+01
      5   0.432383D+01  0.495921D+01 -0.680319D+01 -0.734261D+01  0.675043D+01
      6  -0.126214D+01 -0.288873D+01  0.892492D+01  0.819099D+01 -0.240384D+01
               206           207           208           209           210 
      1  -0.269904D+00  0.101527D+01  0.610897D+02  0.857590D+01  0.206407D+02
      2   0.237217D+01  0.339331D+00 -0.333016D+02 -0.513874D+01 -0.122828D+02
      3  -0.210226D+01 -0.135460D+01 -0.277880D+02 -0.343715D+01 -0.835785D+01
      4  -0.666186D+01 -0.443548D+01  0.429092D+01  0.104529D+02  0.172570D+01
      5  -0.469316D+01 -0.443753D+01  0.239996D+02  0.327581D+01  0.184227D+02
      6   0.715110D+01  0.285913D+01 -0.227432D+01  0.694118D+00 -0.175108D+01
               211           212           213           214           215 
      1   0.188063D+02  0.705546D+01  0.491801D+01  0.369361D+02  0.349789D+01
      2  -0.108305D+02 -0.151015D+01 -0.264647D+01 -0.212616D+02 -0.204551D+01
      3  -0.797583D+01 -0.554531D+01 -0.227154D+01 -0.156745D+02 -0.145239D+01
      4   0.123350D+02  0.259062D+01  0.365169D+01  0.171938D+01  0.710963D+01
      5   0.742538D+01  0.367396D+01  0.786040D+01  0.249567D+02  0.473206D+01
      6   0.106751D+01  0.195881D+01  0.197308D+01 -0.156423D+01  0.217870D+01
               216           217           218           219           220 
      1   0.153196D+02 -0.694301D+01 -0.501365D+01  0.147222D+02 -0.926489D+00
      2  -0.133816D+02 -0.583655D+01  0.158031D+01  0.448563D+01 -0.851697D+00
      3  -0.193791D+01  0.127796D+02  0.343334D+01 -0.192078D+02  0.177819D+01
      4   0.355922D+01  0.123337D+02  0.304672D+01 -0.660067D+01  0.307813D+01
      5   0.191236D+02 -0.205467D+02 -0.143717D+00  0.129649D+02  0.535801D+00
      6  -0.127627D+01 -0.480769D+01 -0.854998D+01  0.106213D+02 -0.405073D+01
               221           222           223           224           225 
      1  -0.277515D+01  0.580214D+00  0.914820D+01  0.148544D+01 -0.107949D+02
      2   0.430009D+01 -0.256054D+01  0.262647D+01 -0.112884D+01 -0.925857D+01
      3  -0.152494D+01  0.198033D+01 -0.117747D+02 -0.356606D+00  0.200535D+02
      4  -0.487257D+00 -0.116275D+01 -0.614760D+01 -0.195107D+01  0.465171D+01
      5  -0.264259D+01  0.306435D+01  0.140390D+02  0.181121D+01 -0.750543D+01
      6  -0.266952D+01  0.277031D+01  0.513080D+01  0.430630D+01 -0.639987D+01
               226           227           228           229           230 
      1   0.105238D+02  0.236291D+01  0.189710D+01  0.388324D+01 -0.602082D+00
      2  -0.213072D+02 -0.468724D+01 -0.219138D+02 -0.827871D+01 -0.537141D-01
      3   0.107834D+02  0.232434D+01  0.200167D+02  0.439547D+01  0.655796D+00
      4  -0.471015D+01  0.520282D+01 -0.538127D+01  0.289672D+01  0.297839D+00
      5   0.288067D+02  0.173456D+01  0.310761D+02  0.943891D+01  0.574784D+01
      6  -0.236731D+01  0.692945D+01 -0.389097D+01  0.444704D+01  0.196480D+01
               231           232           233           234           235 
      1  -0.174354D+01  0.279613D+01  0.469883D-01 -0.769781D+01 -0.198175D+00
      2  -0.100078D+02 -0.180650D+02 -0.363360D+01 -0.289748D+02  0.211457D+01
      3   0.117514D+02  0.152689D+02  0.358661D+01  0.366726D+02 -0.191640D+01
      4   0.219699D+01 -0.488069D+01  0.254876D+01 -0.306658D+01 -0.563614D+01
      5   0.107149D+02  0.261811D+02  0.277475D+01  0.319692D+02  0.293146D+01
      6   0.444406D+01 -0.223369D+01  0.625768D+01 -0.480765D+01 -0.370814D+01
               236           237           238           239           240 
      1  -0.690958D+00  0.518465D-01 -0.521912D+00 -0.222077D+02  0.593265D+01
      2  -0.580122D+01 -0.195335D+01 -0.670545D+01  0.492486D+02 -0.128117D+01
      3   0.649218D+01  0.190150D+01  0.722736D+01 -0.270409D+02 -0.465148D+01
      4   0.111785D+02 -0.176328D+01  0.130040D+02 -0.252043D+02  0.326453D+01
      5  -0.366850D+01  0.581846D+01 -0.534611D+01  0.684099D+01 -0.369881D+01
      6   0.564123D+01 -0.139246D+01  0.646479D+01 -0.323544D+02  0.122396D+02
               241           242           243 
      1  -0.426379D+00  0.419381D+00 -0.142585D+01
      2  -0.227050D+01  0.469266D+01  0.184112D+01
      3   0.269687D+01 -0.511204D+01 -0.415273D+00
      4   0.120521D+01 -0.258536D+01 -0.139121D+01
      5   0.334433D+01 -0.376734D+00  0.102934D+01
      6  -0.283481D+00  0.443303D+01  0.329609D+00
 Leave Link  716 at Wed Mar 16 21:10:05 2022, MaxMem=  6442450944 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.144099D+03  0.180548D+01 -0.710548D+00
      2   0.180548D+01  0.137568D+03  0.215675D+01
      3  -0.710548D+00  0.215675D+01  0.133659D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.289321D+00 -0.541409D+01  0.238035D+01
      2   0.260006D+01 -0.537476D+01  0.247309D+02
      3   0.599284D+01 -0.198551D+02  0.651408D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.256182D+02 -0.165320D+02  0.137187D+02
      2  -0.168408D+02  0.725735D+01 -0.778359D+01
      3  -0.877740D+01  0.927467D+01 -0.593509D+01
      4  -0.186211D+02  0.387569D+02 -0.179709D+02
      5   0.103579D+02 -0.182167D+02  0.499000D+02
      6  -0.935859D+01 -0.143550D+02 -0.302009D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.273010D+01  0.232838D+01  0.837862D+01  0.148846D+01  0.361924D+01
      2   0.232838D+01  0.443024D+01  0.649572D+00  0.361924D+01 -0.875375D+01
      3   0.837862D+01  0.649572D+00  0.430568D+01  0.335575D-01 -0.246303D+01
                 6             7             8             9            10 
      1   0.335575D-01  0.103921D+02  0.933794D+00  0.290145D+01 -0.684055D+01
      2  -0.246303D+01  0.933794D+00 -0.216094D+01  0.609016D+01 -0.297331D+01
      3   0.456957D+01  0.290145D+01  0.609016D+01 -0.157489D+01 -0.621911D+01
                11            12            13            14            15 
      1  -0.297331D+01 -0.621911D+01 -0.400882D+01  0.111306D+01  0.300155D+01
      2   0.139233D+01  0.307833D+01  0.111306D+01  0.106628D+01  0.442746D+01
      3   0.307833D+01 -0.101757D+01  0.300155D+01  0.442746D+01 -0.575409D+01
                16            17            18            19            20 
      1  -0.650486D+01  0.293346D+01 -0.303418D+01  0.335098D+01 -0.556404D+00
      2   0.293346D+01  0.317514D+01 -0.409821D+01 -0.556404D+00 -0.212217D+01
      3  -0.303418D+01 -0.409821D+01 -0.263602D+01  0.629573D+01 -0.377686D+01
                21            22            23            24            25 
      1   0.629573D+01  0.112190D+01 -0.372293D+00 -0.559131D+01  0.386537D+01
      2  -0.377686D+01 -0.372293D+00  0.659071D+00 -0.327734D+01 -0.345597D+01
      3  -0.110983D+01 -0.559131D+01 -0.327734D+01  0.347375D+01 -0.308315D+00
                26            27            28            29            30 
      1  -0.345597D+01 -0.308315D+00 -0.554618D+01 -0.357960D+01  0.352742D+01
      2  -0.481252D+01  0.227124D+01 -0.357960D+01  0.556199D+01  0.129955D+01
      3   0.227124D+01  0.377529D+01  0.352742D+01  0.129955D+01 -0.321664D+00
                31            32            33            34            35 
      1  -0.122763D+01  0.429258D+01  0.149302D+01  0.264567D+01  0.139177D+01
      2   0.429258D+01 -0.501207D+01  0.293400D+01  0.139177D+01  0.214747D+01
      3   0.149302D+01  0.293400D+01  0.291344D+01 -0.172269D+00  0.202890D+01
                36            37            38            39            40 
      1  -0.172269D+00  0.128359D+01 -0.197554D+01 -0.605851D+01  0.344373D+00
      2   0.202890D+01 -0.197554D+01 -0.454152D+01 -0.229530D+01 -0.645667D+01
      3  -0.378288D+01 -0.605851D+01 -0.229530D+01 -0.245403D+01 -0.276960D+01
                41            42            43            44            45 
      1  -0.645667D+01 -0.276960D+01 -0.477055D+01 -0.240302D+01 -0.275777D+01
      2   0.716167D+01 -0.226047D+01 -0.240302D+01 -0.263127D-01 -0.530904D+01
      3  -0.226047D+01 -0.365838D+01 -0.275777D+01 -0.530904D+01  0.270281D+01
                46            47            48            49            50 
      1   0.108109D+02  0.468795D+01  0.352558D+00  0.423665D+01 -0.145408D+01
      2   0.468795D+01 -0.602831D+01 -0.490061D+01 -0.145408D+01 -0.132438D+01
      3   0.352558D+00 -0.490061D+01 -0.363760D+01 -0.272928D+01 -0.153326D+01
                51            52            53            54            55 
      1  -0.272928D+01  0.449623D+00 -0.193826D+01  0.308355D+00 -0.206645D+01
      2  -0.153326D+01 -0.193826D+01 -0.689638D+00  0.694747D+00 -0.171496D+01
      3   0.279436D+00  0.308355D+00  0.694747D+00  0.265127D+01  0.174863D+01
                56            57            58            59            60 
      1  -0.171496D+01  0.174863D+01 -0.223765D+01  0.533536D+01  0.155990D+01
      2   0.669351D+01  0.206294D+01  0.533536D+01 -0.415112D+01  0.186653D+01
      3   0.206294D+01  0.203186D+01  0.155990D+01  0.186653D+01  0.275051D+01
                61            62            63            64            65 
      1   0.575557D+00 -0.623785D+00  0.174110D+01  0.193563D+01  0.306800D+01
      2  -0.623785D+00  0.247503D+01  0.939732D+00  0.306800D+01 -0.338812D+00
      3   0.174110D+01  0.939732D+00 -0.789404D+01  0.688396D+01 -0.181853D+01
                66            67            68            69            70 
      1   0.688396D+01  0.197946D+01 -0.962872D+00 -0.189040D+01  0.567914D+01
      2  -0.181853D+01 -0.962872D+00 -0.161604D+00 -0.429164D+01 -0.208070D+01
      3   0.141090D+01 -0.189040D+01 -0.429164D+01  0.340912D+01  0.143823D+01
                71            72            73            74            75 
      1  -0.208070D+01  0.143823D+01 -0.205655D+02 -0.426291D+01  0.146716D+01
      2  -0.441356D+01  0.445878D+01 -0.426291D+01 -0.712906D+00  0.165696D+01
      3   0.445878D+01  0.123150D+01  0.146716D+01  0.165696D+01 -0.649443D+00
                76            77            78            79            80 
      1  -0.457214D+01 -0.445406D+01  0.860236D+00  0.384847D+00  0.304918D+00
      2  -0.445406D+01 -0.251166D+01  0.106361D+01  0.304918D+00  0.187820D+00
      3   0.860236D+00  0.106361D+01 -0.357282D+00 -0.388690D+01 -0.113825D+01
                81            82            83            84            85 
      1  -0.388690D+01 -0.169171D+01 -0.256296D+01 -0.616323D+01 -0.340640D+01
      2  -0.113825D+01 -0.256296D+01 -0.204062D+01 -0.530922D+00 -0.351786D+01
      3  -0.176847D+00 -0.616323D+01 -0.530922D+00 -0.248143D+01 -0.600026D+00
                86            87            88            89            90 
      1  -0.351786D+01 -0.600026D+00 -0.747875D+01 -0.605533D+00 -0.354511D+01
      2   0.800133D+01  0.263606D+01 -0.605533D+00  0.232245D+01 -0.391037D+01
      3   0.263606D+01 -0.418611D+01 -0.354511D+01 -0.391037D+01  0.357891D+01
                91            92            93            94            95 
      1   0.266223D+01 -0.693030D+00 -0.724854D+01 -0.139454D+01 -0.259063D+01
      2  -0.693030D+00 -0.234318D+01 -0.930326D+00 -0.259063D+01  0.815814D+01
      3  -0.724854D+01 -0.930326D+00 -0.241215D+01 -0.124641D+01  0.155861D+01
                96            97            98            99           100 
      1  -0.124641D+01 -0.637320D+01 -0.127747D+01 -0.241995D+01  0.309420D+01
      2   0.155861D+01 -0.127747D+01  0.296933D+01 -0.399148D+01 -0.525157D+00
      3  -0.479445D+01 -0.241995D+01 -0.399148D+01 -0.523512D+00 -0.324897D+01
               101           102           103           104           105 
      1  -0.525157D+00 -0.324897D+01 -0.144179D+01  0.890302D+00  0.197238D+01
      2   0.156709D+01  0.104057D+01  0.890302D+00 -0.142096D+01 -0.123944D+01
      3   0.104057D+01  0.456321D+01  0.197238D+01 -0.123944D+01 -0.358644D+01
               106           107           108           109           110 
      1  -0.245575D+01  0.684227D+00  0.294872D+01 -0.602470D+01  0.133158D+01
      2   0.684227D+00 -0.104585D+01 -0.144263D+01  0.133158D+01 -0.172613D+01
      3   0.294872D+01 -0.144263D+01 -0.845205D+01 -0.478735D+01  0.170955D+01
               111           112           113           114           115 
      1  -0.478735D+01  0.112535D+01 -0.113126D+01  0.119224D+01 -0.266498D+01
      2   0.170955D+01 -0.113126D+01  0.119362D+01 -0.108390D+01  0.100875D+01
      3  -0.488827D+01  0.119224D+01 -0.108390D+01  0.102787D+01 -0.266509D+01
               116           117           118           119           120 
      1   0.100875D+01 -0.266509D+01 -0.120760D+01  0.270431D+01 -0.859816D+00
      2  -0.698357D+00  0.845580D+00  0.270431D+01 -0.518693D+01  0.916403D+00
      3   0.845580D+00 -0.483400D+01 -0.859816D+00  0.916403D+00 -0.108927D+01
               121           122           123           124           125 
      1   0.192412D+01 -0.258992D+01  0.348363D+00 -0.424912D+00 -0.912653D-02
      2  -0.258992D+01  0.113373D+02 -0.222692D+01 -0.912653D-02 -0.102365D+01
      3   0.348363D+00 -0.222692D+01  0.153325D+01 -0.472318D+00  0.121929D+01
               126           127           128           129           130 
      1  -0.472318D+00  0.876432D+01  0.367458D+01 -0.294998D+01  0.190979D+01
      2   0.121929D+01  0.367458D+01  0.303090D+01 -0.157361D+01  0.171989D+01
      3  -0.419118D+00 -0.294998D+01 -0.157361D+01  0.258636D+01 -0.920709D+00
               131           132           133           134           135 
      1   0.171989D+01 -0.920709D+00 -0.253931D+01 -0.120761D+01  0.194898D+01
      2   0.235072D+01 -0.106739D+01 -0.120761D+01 -0.132601D+01  0.862448D+00
      3  -0.106739D+01  0.469541D+00  0.194898D+01  0.862448D+00 -0.161650D+01
               136           137           138           139           140 
      1  -0.118084D+00  0.215229D+00  0.155238D+01 -0.448217D+00 -0.489882D+00
      2   0.215229D+00 -0.854964D+00 -0.583081D+00 -0.489882D+00  0.388114D+00
      3   0.155238D+01 -0.583081D+00 -0.179198D+01  0.278727D+00  0.981109D+00
               141           142           143           144           145 
      1   0.278727D+00  0.212077D+01 -0.156030D+00 -0.190282D+01 -0.358646D+01
      2   0.981109D+00 -0.156030D+00  0.177930D+01  0.125973D+01  0.352843D+01
      3  -0.138092D+01 -0.190282D+01  0.125973D+01  0.121091D+02  0.311562D+00
               146           147           148           149           150 
      1   0.352843D+01  0.311562D+00  0.370786D+01 -0.405374D+01 -0.575090D+00
      2  -0.488064D+01 -0.101652D+01 -0.405374D+01  0.948611D+01  0.535218D+00
      3  -0.101652D+01 -0.106850D+01 -0.575090D+00  0.535218D+00  0.123485D+01
               151           152           153           154           155 
      1  -0.115265D+01  0.886646D+00 -0.480208D+00  0.517571D+01  0.340434D+01
      2   0.886646D+00 -0.166690D+01  0.112961D+01  0.340434D+01  0.358246D+01
      3  -0.480208D+00  0.112961D+01  0.844038D+00  0.363723D+01  0.213394D+01
               156           157           158           159           160 
      1   0.363723D+01  0.201468D+01  0.296856D+01  0.134237D+01  0.342833D+01
      2   0.213394D+01  0.296856D+01  0.377360D+01  0.249366D+01  0.207680D+01
      3   0.329835D+01  0.134237D+01  0.249366D+01  0.251939D+01  0.319347D+01
               161           162           163           164           165 
      1   0.207680D+01  0.319347D+01 -0.627352D+01 -0.222345D+01 -0.439150D+01
      2   0.282651D+01  0.337180D+01 -0.222345D+01 -0.259918D+01 -0.147038D+01
      3   0.337180D+01  0.468449D+01 -0.439150D+01 -0.147038D+01 -0.415084D+01
               166           167           168           169           170 
      1  -0.621400D+00 -0.107844D+01 -0.207095D+00 -0.393948D+01 -0.987136D+00
      2  -0.107844D+01 -0.422592D+00 -0.409461D+00 -0.987136D+00 -0.108196D+01
      3  -0.207095D+00 -0.409461D+00 -0.434581D+00 -0.326641D+01 -0.196012D+01
               171           172           173           174           175 
      1  -0.326641D+01 -0.848457D+00 -0.141866D+01 -0.290011D-01 -0.118276D+01
      2  -0.196012D+01 -0.141866D+01 -0.125186D+01  0.628393D+00 -0.106084D+01
      3  -0.443528D+01 -0.290011D-01  0.628393D+00 -0.593557D+00  0.497570D+00
               176           177           178           179           180 
      1  -0.106084D+01  0.497570D+00  0.767400D+00  0.110313D+01 -0.482411D+00
      2  -0.711344D+01  0.289938D+01  0.110313D+01  0.566112D+01 -0.276838D+01
      3   0.289938D+01 -0.238457D+01 -0.482411D+00 -0.276838D+01  0.357147D+01
               181           182           183           184           185 
      1   0.414329D+01 -0.219881D+01 -0.298773D+01 -0.139272D+01  0.172967D+01
      2  -0.219881D+01  0.344509D+01  0.218426D+01  0.172967D+01 -0.227357D+01
      3  -0.298773D+01  0.218426D+01  0.311837D+01  0.119747D+01 -0.104891D+01
               186           187           188           189           190 
      1   0.119747D+01 -0.277039D+01  0.143562D+01  0.193727D+01  0.107338D+01
      2  -0.104891D+01  0.143562D+01 -0.194236D+01 -0.257882D+01  0.101263D+01
      3  -0.153248D+01  0.193727D+01 -0.257882D+01 -0.395383D+01 -0.106977D+01
               191           192           193           194           195 
      1   0.101263D+01 -0.106977D+01  0.207697D+01  0.559275D+00 -0.620093D+00
      2   0.398544D+00 -0.303499D+00  0.559275D+00  0.112007D+01 -0.180127D+01
      3  -0.303499D+00  0.162912D+01 -0.620093D+00 -0.180127D+01  0.260133D+01
               196           197           198           199           200 
      1  -0.255592D+01 -0.210857D+00  0.252973D+01  0.146826D+01 -0.141590D+01
      2  -0.210857D+00 -0.218927D+01  0.218771D+01 -0.141590D+01  0.151406D+01
      3   0.252973D+01  0.218771D+01 -0.679150D+01  0.987534D-01  0.322358D+00
               201           202           203           204           205 
      1   0.987534D-01 -0.352915D+01  0.371132D+01  0.773151D+00  0.180896D+00
      2   0.322358D+00  0.371132D+01 -0.983799D+01 -0.163384D+01  0.474064D+00
      3   0.467644D+00  0.773151D+00 -0.163384D+01 -0.136812D+01  0.937207D+00
               206           207           208           209           210 
      1   0.474064D+00  0.937207D+00  0.918780D+01  0.125736D+01  0.345410D+01
      2  -0.134553D+01 -0.967106D+00  0.125736D+01  0.131689D+01  0.397930D+00
      3  -0.967106D+00 -0.955878D+00  0.345410D+01  0.397930D+00  0.228988D+01
               211           212           213           214           215 
      1   0.333313D+01  0.186372D+01  0.102623D+01  0.680490D+01  0.602064D+00
      2   0.186372D+01  0.221270D+00  0.476187D+00  0.602064D+00  0.968936D+00
      3   0.102623D+01  0.476187D+00  0.128805D+01  0.336386D+01  0.870405D+00
               216           217           218           219           220 
      1   0.336386D+01 -0.617825D+01 -0.402140D-02  0.315807D+01  0.277678D+00
      2   0.870405D+00 -0.402140D-02 -0.162620D+01  0.118351D+01 -0.809950D+00
      3   0.276566D+01  0.315807D+01  0.118351D+01 -0.379783D+01  0.436398D+00
               221           222           223           224           225 
      1  -0.809950D+00  0.436398D+00  0.270641D+01  0.462066D+00 -0.205071D+01
      2  -0.696613D+00  0.326124D+00  0.462066D+00  0.458501D+00 -0.143432D+00
      3   0.326124D+00  0.378158D+00 -0.205071D+01 -0.143432D+00  0.347041D+01
               226           227           228           229           230 
      1   0.456351D+01  0.307675D+00  0.438815D+01  0.163595D+01  0.107488D+01
      2   0.307675D+00  0.142579D+01  0.111358D+00  0.107488D+01  0.877266D-01
      3   0.438815D+01  0.111358D+00  0.513781D+01  0.138509D+01  0.806581D+00
               231           232           233           234           235 
      1   0.138509D+01  0.347687D+01  0.302810D+00  0.389425D+01  0.703510D+00
      2   0.806581D+00  0.302810D+00  0.695496D+00  0.626520D+00 -0.141575D+01
      3   0.277010D+01  0.389425D+01  0.626520D+00  0.702362D+01  0.759171D+00
               236           237           238           239           240 
      1  -0.141575D+01  0.759171D+00 -0.171316D+01  0.214465D+01 -0.248235D+00
      2   0.189451D+01 -0.175997D+00  0.214465D+01 -0.113253D+02  0.133235D+01
      3  -0.175997D+00  0.624781D+00 -0.248235D+00  0.133235D+01 -0.178091D+01
               241           242           243 
      1   0.152929D+00  0.355382D+00  0.301856D+00
      2   0.355382D+00 -0.124424D+01 -0.548818D+00
      3   0.301856D+00 -0.548818D+00 -0.362233D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.231655D+01  0.146984D+01  0.232878D+01  0.328157D+01 -0.782525D+01
      2   0.130422D+02 -0.165100D+00  0.419734D+01  0.237053D+01 -0.581527D+01
      3   0.104373D+01 -0.845694D+01 -0.308245D+01  0.167881D+00  0.992675D+01
                 6             7             8             9            10 
      1  -0.394225D+01  0.591012D+01  0.428874D+01  0.256597D+01 -0.548680D+01
      2   0.399240D+01 -0.301007D+01  0.446864D+01 -0.373634D+01 -0.352296D+01
      3   0.390469D+01 -0.329952D+01  0.400146D+01 -0.488478D+01 -0.249936D+01
                11            12            13            14            15 
      1  -0.310084D+01  0.753961D+00  0.194616D+01  0.537621D+01 -0.145106D+02
      2  -0.433098D+01  0.151685D+01 -0.446011D+01 -0.359988D+00  0.176870D+01
      3  -0.293040D+01  0.541916D+01  0.913934D+01  0.293301D+00  0.135420D+01
                16            17            18            19            20 
      1  -0.784183D+01 -0.993510D+00 -0.256104D+01  0.575264D+01  0.558521D+01
      2  -0.809481D+01  0.507515D+01 -0.700447D+01  0.677040D+01 -0.158385D+01
      3   0.459840D+01  0.353055D+01  0.254532D-02 -0.434429D+00 -0.547046D+01
                21            22            23            24            25 
      1   0.547335D+01 -0.123869D+01  0.253650D+01  0.804658D+01  0.638948D+01
      2   0.143882D+02 -0.103128D+01 -0.111869D+01 -0.103833D+02  0.500465D+01
      3   0.627773D+00  0.597382D-01 -0.165247D+00 -0.194866D+01  0.117746D+01
                26            27            28            29            30 
      1   0.129739D+02 -0.155996D+01 -0.680371D+01 -0.846804D+01 -0.138740D+01
      2  -0.965610D+01  0.108081D+01 -0.252482D+01 -0.235674D+01  0.615156D+01
      3  -0.220307D+01  0.617287D+00 -0.109143D+02 -0.158480D+02  0.781494D+01
                31            32            33            34            35 
      1  -0.747651D+01 -0.344415D+01 -0.138440D+02 -0.420335D+00 -0.694631D+01
      2  -0.320225D+00  0.629204D+01  0.406954D+01  0.891022D+00  0.300584D+01
      3  -0.445283D+01  0.155084D+02  0.693733D+00  0.666340D+01  0.216471D+01
                36            37            38            39            40 
      1   0.832161D+01  0.526882D+01  0.113816D+01  0.575148D+00  0.235580D+00
      2  -0.534828D+01 -0.780858D+01 -0.147562D+01  0.498994D+01 -0.187046D+01
      3  -0.209158D+01  0.706431D+01 -0.279175D+01 -0.518085D+01  0.730493D+01
                41            42            43            44            45 
      1   0.725942D+01  0.193894D+01 -0.108912D+01  0.104794D+02 -0.102318D+02
      2   0.241774D+01 -0.156158D+01 -0.286074D+01 -0.130254D+01  0.405510D+01
      3  -0.128163D+02 -0.196609D+01 -0.427511D+01 -0.256037D+01 -0.823982D-01
                46            47            48            49            50 
      1   0.407235D+01  0.186509D+01  0.553570D+01  0.435167D+01 -0.155385D+02
      2  -0.377789D+01  0.907375D+01 -0.320476D+01  0.768606D+01 -0.314025D+01
      3   0.519324D+00  0.180024D+01 -0.864251D+01  0.579088D+01  0.232094D+01
                51            52            53            54            55 
      1  -0.130178D+01  0.207645D+01  0.118666D+02  0.160386D+02 -0.670259D+01
      2  -0.782455D+00 -0.118730D+02  0.135653D+01  0.653269D+01  0.363480D+01
      3  -0.335792D+01 -0.894863D+01 -0.356151D+01  0.478143D+00 -0.714774D+01
                56            57            58            59            60 
      1   0.762768D+01 -0.232885D+01  0.620757D+01 -0.724818D+01 -0.789256D+01
      2   0.117177D+01 -0.514026D+01  0.127518D+01 -0.847365D+01 -0.276908D+01
      3   0.448814D+01  0.672478D+01  0.786758D+01  0.236348D+01  0.146017D+01
                61            62            63            64            65 
      1  -0.856039D+00  0.644707D+01  0.155822D+02  0.872395D+01 -0.199632D+01
      2  -0.100831D+02  0.286003D+00  0.948204D+01 -0.293514D+01  0.600066D+01
      3   0.474065D+01 -0.469463D+00  0.355239D+01 -0.177094D+01 -0.115920D+02
                66            67            68            69            70 
      1   0.519551D+01 -0.355993D+01 -0.942742D+01  0.106107D+02  0.445581D+01
      2   0.992423D+01  0.337087D+01  0.255633D+01 -0.484877D+01  0.337611D+01
      3  -0.163967D+02 -0.269709D+01  0.176771D+01  0.915415D+00 -0.132661D+02
                71            72            73            74            75 
      1   0.195196D+02 -0.284741D+01 -0.140074D+00 -0.531837D+00 -0.590859D+01
      2  -0.679651D+01  0.103168D+01  0.373684D+01  0.611193D+00  0.161399D+02
      3  -0.224984D+00 -0.486048D+00 -0.398194D+01 -0.173648D+02  0.132722D+00
                76            77            78            79            80 
      1  -0.310304D+01  0.317252D+01 -0.209372D+01  0.105921D+01 -0.137182D+01
      2  -0.227830D+01  0.290604D+01  0.410271D+01  0.498666D+01  0.471477D+00
      3  -0.328579D+01 -0.873684D+01  0.521136D+00  0.106581D+01  0.114753D+01
                81            82            83            84            85 
      1  -0.594177D+01 -0.318221D+01 -0.258046D-02 -0.222227D+01 -0.275860D+00
      2  -0.204545D+01 -0.154397D+02 -0.101702D+01 -0.621346D+01 -0.255517D+01
      3  -0.306532D+01  0.711448D+01  0.539995D+01  0.428229D+01  0.157671D+02
                86            87            88            89            90 
      1   0.105451D+01 -0.569867D+01 -0.531419D+01 -0.733234D+00  0.395773D+01
      2   0.750570D+01 -0.105924D+02 -0.164054D+02 -0.926736D+01  0.114833D+02
      3  -0.196833D+02 -0.794743D+01  0.585584D+01 -0.702064D+01  0.126288D+02
                91            92            93            94            95 
      1  -0.111424D+02 -0.543661D+01 -0.443813D+01 -0.757013D+01  0.205484D+02
      2  -0.138991D+02 -0.873151D+00  0.166148D+02  0.599988D-01  0.613298D+01
      3  -0.393756D+01  0.154152D+00  0.115317D+02  0.579047D+01 -0.571308D+01
                96            97            98            99           100 
      1  -0.690034D+01 -0.484088D+01  0.350773D+01 -0.109837D+02  0.481012D+00
      2  -0.185045D+01  0.824402D+01 -0.237767D+01  0.354601D+01  0.785773D+01
      3   0.212523D-01  0.922004D+01 -0.206427D+01  0.644181D+01  0.124699D+01
               101           102           103           104           105 
      1  -0.582415D+01 -0.269331D+01 -0.371503D+00  0.452861D+01 -0.494654D+00
      2  -0.182790D+01 -0.402000D+01 -0.329609D+01  0.174545D+01  0.232340D+01
      3  -0.172184D+01 -0.117936D+01  0.868343D+00  0.293709D+00  0.241199D+00
               106           107           108           109           110 
      1  -0.205089D+01  0.619556D+01  0.373595D+01 -0.472105D+00  0.456625D+01
      2  -0.723780D+01  0.178463D+01  0.415339D+01 -0.135649D+02  0.186025D+01
      3  -0.405304D+00  0.173826D+01  0.800307D+00 -0.377937D+01 -0.218701D+01
               111           112           113           114           115 
      1  -0.367948D+00  0.118422D+01 -0.208137D+01 -0.581249D+00  0.921159D-01
      2  -0.536632D+01  0.299157D+01 -0.195790D+01  0.234873D+01 -0.667943D+01
      3  -0.209558D+01  0.193928D+01  0.291579D+00  0.748524D+00 -0.195585D+01
               116           117           118           119           120 
      1   0.214776D+01  0.562348D+00 -0.366442D+00  0.383861D+01  0.350045D+01
      2   0.183391D+01 -0.422051D+01 -0.235076D+01  0.282853D+01  0.176672D-01
      3  -0.674886D+00 -0.174336D+01 -0.599357D+01  0.779890D+01 -0.224271D+01
               121           122           123           124           125 
      1   0.225871D+01 -0.657207D+01 -0.534281D+01  0.103180D+01  0.312131D+00
      2   0.260736D+01 -0.421190D+01  0.545540D+00 -0.177111D+01  0.115545D+01
      3   0.953542D+01 -0.124841D+02  0.181750D+01 -0.117201D+01  0.716301D+00
               126           127           128           129           130 
      1  -0.722916D+00  0.351797D+01 -0.104979D+01 -0.575983D+01  0.331865D+00
      2  -0.194422D+00  0.771694D+01  0.181566D+01  0.215639D+01  0.102465D+01
      3  -0.211719D+01  0.181933D+02  0.178454D+01 -0.482338D+01  0.353544D+01
               131           132           133           134           135 
      1   0.690501D+00 -0.109746D+01 -0.313871D+01  0.163572D+01  0.219202D+01
      2   0.725649D+00  0.262980D+00 -0.269590D+01 -0.677171D+00 -0.326231D+00
      3   0.123056D+01 -0.131066D+01 -0.510378D+01 -0.887276D+00  0.368961D+01
               136           137           138           139           140 
      1  -0.149400D+01  0.420071D+00  0.310774D+01  0.388405D+00 -0.163039D+01
      2  -0.155175D+01  0.747232D+00  0.177412D+01  0.596420D+00 -0.173815D+00
      3   0.440307D+00 -0.248181D+01  0.743231D+00  0.238945D-01 -0.162032D+01
               141           142           143           144           145 
      1   0.469022D+01  0.323976D+01  0.169590D+01 -0.214433D+02  0.407416D+01
      2   0.279529D+01 -0.360329D+01 -0.150310D+01 -0.123128D+02  0.407996D+01
      3   0.116167D+01  0.301782D+01  0.237770D+01 -0.307874D+01 -0.142789D+01
               146           147           148           149           150 
      1  -0.818425D+01  0.133133D+00 -0.505725D+01  0.136260D+02 -0.278548D+01
      2  -0.423943D+01  0.273039D+01 -0.471663D+01  0.664781D+01 -0.124486D+01
      3  -0.283804D+01 -0.107606D+01  0.474821D+01  0.534485D+01 -0.419485D+00
               151           152           153           154           155 
      1   0.159178D+01 -0.400922D+01  0.509808D+00 -0.247309D+01  0.140496D+01
      2   0.112254D+01 -0.226929D+01  0.656231D+00 -0.222909D+01 -0.646968D+00
      3  -0.140115D+01 -0.138267D+01  0.362040D+00  0.619564D+01 -0.522909D+00
               156           157           158           159           160 
      1  -0.434188D+01 -0.622024D+00 -0.209394D+00 -0.478782D+01 -0.223140D+01
      2   0.223361D+01 -0.179061D+01 -0.287233D+00  0.166486D+01 -0.250306D+01
      3   0.344939D+01  0.372218D+01  0.788861D+00  0.732178D+00  0.464423D+01
               161           162           163           164           165 
      1   0.351261D+00 -0.481628D+01 -0.542653D+01  0.179881D+01 -0.719207D+01
      2   0.128623D+01  0.266150D+01 -0.646330D+01 -0.121837D+01  0.179088D+00
      3  -0.712043D+00  0.169366D+01  0.130678D+02 -0.288780D+00  0.799421D+01
               166           167           168           169           170 
      1   0.128907D+00 -0.945557D-01 -0.172622D+01 -0.550711D+01 -0.199486D+00
      2  -0.669343D+00 -0.113748D+01  0.746229D-01 -0.454265D+01 -0.101373D+00
      3   0.173636D+01  0.165134D+01  0.736633D+00  0.827897D+01  0.309350D+00
               171           172           173           174           175 
      1  -0.647248D+01  0.148568D+01  0.257789D+01 -0.169108D+01  0.255264D+01
      2  -0.808517D-01 -0.620106D+00 -0.203640D+01  0.133786D+01 -0.723954D+00
      3   0.581104D+01  0.101689D+01  0.101063D+01  0.129243D+00  0.450730D+01
               176           177           178           179           180 
      1   0.137775D+02 -0.120973D+02 -0.149247D+01 -0.111052D+02  0.136724D+02
      2  -0.329619D+01  0.263394D+01 -0.461116D+00  0.328028D+01 -0.392911D+01
      3  -0.240340D+01  0.764920D+00 -0.285830D+01  0.173246D+01 -0.118796D+01
               181           182           183           184           185 
      1  -0.327220D+01 -0.188667D+01  0.462220D+01  0.486506D+00  0.751370D+00
      2   0.887631D+01 -0.362835D+01 -0.336661D+01 -0.268273D+01  0.233865D+01
      3  -0.122219D+02  0.392150D+01  0.698242D+01  0.525852D+01 -0.357251D+01
               186           187           188           189           190 
      1  -0.347569D+01  0.210443D+01 -0.465835D+00 -0.463560D+01 -0.113273D+01
      2   0.154384D+01 -0.625050D+01  0.291507D+01  0.338480D+01 -0.223119D+01
      3  -0.286700D+01  0.728028D+01 -0.252928D+01 -0.509300D+01 -0.269154D+01
               191           192           193           194           195 
      1  -0.709051D+00  0.670565D+00 -0.713535D-01 -0.277853D+01  0.160680D+01
      2  -0.262575D+00  0.411111D+01  0.569027D+00 -0.534456D+01  0.824724D+01
      3  -0.204937D+01  0.152323D+01 -0.391546D+00 -0.510842D+01  0.590612D+01
               196           197           198           199           200 
      1   0.106530D+01  0.539196D+01 -0.445608D+01  0.387287D+00 -0.621188D+00
      2   0.126251D+01  0.720500D+01 -0.194262D+02  0.372004D+00  0.323243D+00
      3   0.731758D+00  0.779172D+01 -0.780434D+01  0.289947D+01 -0.418931D+01
               201           202           203           204           205 
      1   0.666117D+00  0.796007D-01  0.163370D+01 -0.402505D+01  0.426136D+00
      2   0.206614D+01  0.951019D+00 -0.422406D+01 -0.490194D+01  0.106775D+01
      3  -0.809958D+00 -0.293636D+01  0.249941D+02  0.397622D+01 -0.866252D+00
               206           207           208           209           210 
      1   0.857743D+00 -0.862028D+00  0.225984D+01  0.114092D+01  0.105392D+01
      2  -0.209714D+01 -0.257753D+01  0.956482D+01  0.193211D+01  0.102090D+02
      3   0.400265D+01  0.189662D+01 -0.812393D+01 -0.717392D+01 -0.341337D+01
               211           212           213           214           215 
      1   0.980363D+00  0.829707D+00 -0.294806D+00  0.260965D+01  0.201017D+01
      2   0.272012D+01  0.126200D+01  0.435676D+01  0.695506D+01  0.245354D+01
      3  -0.471389D+01 -0.221720D+01 -0.158976D+01 -0.498978D+01 -0.449469D+01
               216           217           218           219           220 
      1   0.102329D+01  0.533458D+01 -0.401648D+01 -0.274101D+01 -0.195325D+01
      2   0.899996D+01  0.187903D+02 -0.572813D+00 -0.646455D+01 -0.842543D+00
      3  -0.422519D+01  0.984321D+01 -0.211536D+01 -0.437957D+01  0.619274D+00
               221           222           223           224           225 
      1  -0.785145D-01  0.151496D+00 -0.234057D+01  0.221285D+01  0.354667D+01
      2   0.237620D+01 -0.412838D+00 -0.938378D+01 -0.626868D+00  0.539974D+01
      3   0.149488D+01 -0.829189D+00 -0.415929D+01  0.318774D+00  0.265509D+01
               226           227           228           229           230 
      1   0.608081D+01  0.494929D+01  0.629044D+01  0.345075D+01  0.186712D+01
      2  -0.586022D+01 -0.109047D+01 -0.703164D+00 -0.242838D+01 -0.998013D+00
      3  -0.490112D+01 -0.397197D+01 -0.472559D+01 -0.170767D+01 -0.162520D+01
               231           232           233           234           235 
      1   0.347710D+01  0.524308D+01  0.501324D+01  0.938442D+01 -0.166080D+01
      2   0.671532D+00 -0.678429D+01 -0.437389D-01  0.126729D+00 -0.213773D-01
      3  -0.209453D+01 -0.454164D+01 -0.240233D+01 -0.511853D+01  0.275079D+00
               236           237           238           239           240 
      1   0.344502D+01  0.116535D+01  0.379359D+01 -0.218033D+02 -0.446000D+01
      2   0.204090D+01  0.571627D+00  0.344302D+01 -0.236760D+01 -0.205443D+01
      3  -0.114863D+01 -0.389403D+00  0.385983D+01  0.877891D+01 -0.978723D+00
               241           242           243 
      1   0.733474D+00 -0.229759D+01 -0.247633D+01
      2  -0.727148D+00 -0.762273D+00 -0.103783D+01
      3  -0.319305D-01  0.135602D+01  0.349047D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.149094D+02  0.508095D+01  0.194159D+02  0.687594D+01  0.103039D+02
      2  -0.258511D+00 -0.374282D+01 -0.120415D+02 -0.552124D+01 -0.210351D+01
      3   0.151679D+02 -0.133813D+01 -0.737438D+01 -0.135471D+01 -0.820035D+01
      4  -0.673992D-01  0.553374D+01 -0.654421D+01  0.719312D+01 -0.160722D+02
      5   0.172206D+02 -0.131338D+01  0.997192D+01  0.141494D+01  0.509160D+00
      6  -0.999750D+01  0.288448D+01 -0.160816D+01  0.421549D+01 -0.644368D+01
                 6             7             8             9            10 
      1  -0.567679D+01  0.238122D+02 -0.356354D+01  0.128031D+02  0.233753D+01
      2  -0.486043D+01 -0.126940D+02 -0.231108D+01 -0.560452D+01 -0.165589D+01
      3   0.105372D+02 -0.111182D+02  0.587462D+01 -0.719854D+01 -0.681640D+00
      4  -0.710671D+00 -0.552140D+01  0.612611D-01  0.295100D+01  0.776925D+01
      5   0.809301D+01  0.128354D+02  0.702902D+01 -0.231328D+01 -0.358132D+01
      6  -0.525443D+01 -0.204729D+01 -0.590573D+01  0.403654D+01  0.920401D+01
                11            12            13            14            15 
      1   0.611647D+01  0.132857D+01  0.101397D+02 -0.665570D+00 -0.175394D+02
      2  -0.233659D+01  0.543478D+01  0.366237D+00  0.923202D+01 -0.425625D+01
      3  -0.377988D+01 -0.676335D+01 -0.105060D+02 -0.856645D+01  0.217957D+02
      4   0.360025D+01  0.371422D+01  0.236099D+00  0.245709D+01 -0.179243D+01
      5  -0.258251D+01  0.520362D+01 -0.322849D+01 -0.256610D+01 -0.547453D+01
      6  -0.204889D+01  0.144042D+01 -0.516520D+00  0.391831D+01 -0.535084D+01
                16            17            18            19            20 
      1  -0.203546D+02 -0.886327D+01 -0.201443D+01  0.875153D+01 -0.332902D+01
      2   0.781655D+01 -0.437901D+01  0.343417D+00  0.160577D+02 -0.146155D+02
      3   0.125380D+02  0.132423D+02  0.167101D+01 -0.248092D+02  0.179445D+02
      4   0.837259D+01 -0.595562D+01  0.324180D+01  0.537594D+01 -0.352537D+01
      5   0.232185D+01 -0.300369D+00 -0.160847D+00 -0.125125D+02  0.379735D+01
      6  -0.163290D+00  0.304068D+00  0.138493D+02  0.556508D+01 -0.816723D+00
                21            22            23            24            25 
      1  -0.118747D+02 -0.154120D+02 -0.760603D+01  0.185730D+02 -0.235377D+01
      2  -0.604049D+01 -0.915234D+01 -0.798846D+01  0.105263D+01 -0.779792D+01
      3   0.179152D+02  0.245643D+02  0.155945D+02 -0.196256D+02  0.101517D+02
      4   0.413002D+01 -0.344657D+01 -0.436351D+01 -0.261297D+01  0.194379D+01
      5  -0.275527D+02  0.769595D+01  0.350815D+01  0.144235D+02 -0.190024D+02
      6   0.125938D+02 -0.370649D+01 -0.519969D+01  0.789455D+01  0.996299D+01
                26            27            28            29            30 
      1   0.854538D+01  0.471059D+01 -0.632339D+01 -0.198604D+02  0.780431D+01
      2   0.151126D+01  0.165648D+02 -0.870670D+01  0.318241D+02  0.149580D+01
      3  -0.100566D+02 -0.212754D+02  0.150301D+02 -0.119636D+02 -0.930011D+01
      4  -0.229189D+01  0.489051D+01 -0.238481D+02 -0.161014D+02  0.163191D+02
      5   0.101979D+02  0.449031D+01  0.152880D+02  0.103311D+02 -0.355113D+01
      6   0.600020D+01 -0.633414D+01  0.197680D+02 -0.173405D+01 -0.672212D+01
                31            32            33            34            35 
      1  -0.125608D+02  0.202467D+02 -0.877759D-01  0.628900D+01  0.156900D+01
      2   0.220587D+02 -0.298930D+02  0.121216D+02  0.541350D+00  0.926249D+01
      3  -0.949788D+01  0.964628D+01 -0.120338D+02 -0.683035D+01 -0.108315D+02
      4  -0.498231D+01  0.156499D+02  0.274129D+01  0.133567D+02  0.394973D+01
      5   0.368627D+01 -0.431763D+01  0.157423D+00 -0.600193D+01  0.644169D+00
      6  -0.183125D+01  0.117586D+02  0.215318D+01 -0.423031D+01  0.275672D+01
                36            37            38            39            40 
      1  -0.981827D+01  0.120309D+00  0.415262D+01 -0.104738D+01  0.367650D+01
      2   0.767034D+01  0.255537D+01 -0.110607D+02 -0.412762D+01 -0.757120D+01
      3   0.214792D+01 -0.267568D+01  0.690809D+01  0.517499D+01  0.389469D+01
      4   0.341122D+01  0.606115D+00 -0.100394D+02 -0.155149D+02 -0.901083D+01
      5  -0.170935D+01 -0.744093D+01 -0.113189D+02 -0.128461D+02 -0.596349D+01
      6  -0.120841D+02 -0.167876D+02 -0.141764D+02 -0.448558D+01 -0.107549D+02
                41            42            43            44            45 
      1  -0.106824D+02 -0.513381D+00 -0.377836D+01 -0.122547D+01  0.379135D+01
      2   0.143870D+02 -0.142137D+01  0.902568D+00 -0.533154D+00 -0.103855D+02
      3  -0.370460D+01  0.193475D+01  0.287580D+01  0.175862D+01  0.659417D+01
      4  -0.400530D+01 -0.710073D+01 -0.117892D+02 -0.639694D+01 -0.154203D+02
      5  -0.725715D+01 -0.945996D+01 -0.105579D+02 -0.126185D+02 -0.786955D+01
      6   0.760756D+00 -0.113078D+02 -0.873597D+01 -0.151607D+02  0.290301D+01
                46            47            48            49            50 
      1  -0.727101D+02 -0.933936D+01  0.448893D+01 -0.245655D+02  0.245234D+01
      2   0.346431D+02 -0.276413D+01 -0.488115D+01  0.113640D+02 -0.592223D+01
      3   0.380670D+02  0.121035D+02  0.392219D+00  0.132014D+02  0.346989D+01
      4  -0.191473D+02 -0.126861D+02  0.359830D+01 -0.108019D+01 -0.583116D+01
      5   0.707426D+01  0.620035D+01 -0.129355D+02  0.393850D+01  0.659389D+00
      6   0.813682D+00  0.141949D+01 -0.806526D+01  0.393034D+01 -0.676516D+01
                51            52            53            54            55 
      1   0.169436D+02  0.189651D+01  0.137695D+02  0.317887D-01  0.339345D+01
      2  -0.352761D+00  0.204735D+01 -0.817297D+01 -0.216748D+01 -0.926501D+01
      3  -0.165908D+02 -0.394386D+01 -0.559649D+01  0.213569D+01  0.587156D+01
      4   0.263351D+01 -0.955771D+00  0.542330D+01 -0.365818D+01  0.387798D+01
      5  -0.686860D+01  0.462887D+01 -0.126263D+01 -0.736689D-01 -0.211363D+01
      6  -0.499780D+01 -0.605058D+00 -0.223088D+00 -0.849193D+01  0.513677D+01
                56            57            58            59            60 
      1  -0.902690D+01 -0.884739D+01  0.226955D+01 -0.224716D+01 -0.114050D+02
      2   0.217986D+02  0.229658D+01  0.121275D+02 -0.154703D+02 -0.865971D+00
      3  -0.127717D+02  0.655081D+01 -0.143970D+02  0.177175D+02  0.122710D+02
      4  -0.184200D+02  0.146086D+00 -0.108994D+02  0.236748D+02 -0.152058D+01
      5  -0.235672D+01 -0.718296D+00  0.231600D-01  0.417224D+01 -0.494705D-01
      6   0.125980D+02  0.428548D+01  0.506156D+01  0.160704D+01  0.116643D+02
                61            62            63            64            65 
      1   0.327058D+01 -0.373586D+01  0.140402D+02  0.810437D+01 -0.718385D+01
      2  -0.748196D+01  0.108970D+02  0.206960D+02  0.515484D+01  0.310815D+01
      3   0.421137D+01 -0.716114D+01 -0.347362D+02 -0.132592D+02  0.407570D+01
      4   0.444096D+01 -0.444632D+01  0.855147D+01 -0.615148D+01 -0.127847D+02
      5   0.107245D+01  0.141720D+01  0.185250D+02 -0.113484D+02 -0.109566D+02
      6   0.202455D+01  0.715883D+01 -0.119589D+02 -0.281537D+02  0.983794D+01
                66            67            68            69            70 
      1  -0.125131D+02 -0.735780D+01 -0.136689D+01 -0.297543D+01 -0.106902D+02
      2   0.156168D+02  0.164459D+01 -0.832521D+01  0.236860D+02  0.144567D+02
      3  -0.310375D+01  0.571322D+01  0.969210D+01 -0.207106D+02 -0.376652D+01
      4  -0.252732D+02 -0.101923D+02  0.144802D+01  0.117498D+02 -0.228917D+02
      5  -0.240559D+02 -0.649657D+01  0.944456D+01  0.341422D+00 -0.209177D+02
      6  -0.144158D+01  0.957923D+01  0.179978D+02 -0.927361D+01 -0.109971D+01
                71            72            73            74            75 
      1  -0.745255D+01  0.450452D+01  0.133757D+03  0.179821D+02 -0.506523D+01
      2   0.279980D+02 -0.981878D+01 -0.644426D+02 -0.419844D+01  0.362657D+01
      3  -0.205454D+02  0.531425D+01 -0.693142D+02 -0.137836D+02  0.143866D+01
      4   0.126537D+02 -0.675603D+01  0.246502D+02  0.285247D+02 -0.219971D+01
      5  -0.139057D+01 -0.259472D+01 -0.978336D+01 -0.320227D+01  0.257051D+02
      6  -0.137848D+02 -0.908702D+01 -0.610540D+01 -0.356767D+01  0.522994D+01
                76            77            78            79            80 
      1   0.219016D+02  0.163075D+02 -0.422829D+01  0.284935D+01 -0.320870D+01
      2  -0.936232D+01 -0.710859D+00  0.201740D+01  0.184454D+01  0.139665D+01
      3  -0.125393D+02 -0.155966D+02  0.221089D+01 -0.469389D+01  0.181205D+01
      4   0.310659D+02  0.167212D+02 -0.400500D+01 -0.431193D+01 -0.276544D+01
      5  -0.629437D+01 -0.476804D+01  0.751411D+01  0.258511D+02  0.596414D+01
      6  -0.445333D+01 -0.262088D+01  0.750526D+01  0.327422D+01  0.579074D+01
                81            82            83            84            85 
      1   0.122901D+02 -0.651051D+01 -0.158656D+02 -0.335538D+02 -0.233458D+02
      2  -0.125513D+02  0.655307D+01  0.118542D+02  0.173403D+02  0.196037D+02
      3   0.261188D+00 -0.425574D-01  0.401137D+01  0.162135D+02  0.374203D+01
      4   0.505064D+01 -0.140886D+02 -0.935543D+01  0.130113D+01 -0.148358D+02
      5  -0.572220D+01 -0.336131D+02 -0.180126D+01 -0.149710D+02 -0.601907D+01
      6  -0.821150D+00  0.572421D+01  0.143624D+01  0.115788D+01  0.195390D+01
                86            87            88            89            90 
      1  -0.225622D+01 -0.795689D+00 -0.401746D+02 -0.105812D+01 -0.188216D+02
      2  -0.130110D+02 -0.335192D+01  0.203889D+02 -0.382578D+01  0.150532D+02
      3   0.152672D+02  0.414761D+01  0.197857D+02  0.488389D+01  0.376839D+01
      4   0.370668D+02  0.997576D+01 -0.177979D+01  0.917498D+01 -0.134718D+02
      5   0.990072D+01 -0.169187D+02 -0.217479D+02 -0.156500D+02  0.133367D+02
      6  -0.752768D+01  0.193767D+01  0.120639D+01  0.211955D+01 -0.175213D+01
                91            92            93            94            95 
      1   0.152192D+02 -0.272765D+01 -0.133275D+02 -0.547973D+01  0.527375D+01
      2   0.151098D+02  0.114280D+02  0.182530D+02  0.153079D+02 -0.330508D+02
      3  -0.303291D+02 -0.870038D+01 -0.492558D+01 -0.982821D+01  0.277771D+02
      4  -0.772223D+01 -0.295035D+01  0.917088D+01 -0.375062D+01  0.206074D+02
      5  -0.554051D+01 -0.327773D+01 -0.307989D+02 -0.671329D+01 -0.401442D+01
      6   0.688666D+01 -0.344001D+01 -0.513812D+01 -0.570350D+01  0.169442D+02
                96            97            98            99           100 
      1   0.695768D+01 -0.115177D+02  0.836921D+01 -0.121543D+02 -0.240318D+01
      2   0.993191D+01  0.181301D+02  0.152133D+01  0.186786D+02 -0.120294D+02
      3  -0.168896D+02 -0.661234D+01 -0.989054D+01 -0.652432D+01  0.144326D+02
      4   0.220754D+01  0.831716D+01  0.561245D+01 -0.380855D+01 -0.176043D+01
      5  -0.136047D+02 -0.293173D+02 -0.973483D+01 -0.125674D+02 -0.130699D+02
      6   0.106009D+02 -0.204843D+01  0.119801D+02 -0.126122D+02 -0.488280D-01
               101           102           103           104           105 
      1  -0.271649D+00  0.991084D+01  0.412118D+01 -0.382776D+01 -0.108131D+02
      2   0.548296D+01  0.150926D+02  0.442913D+01 -0.171773D+01 -0.852705D+01
      3  -0.521131D+01 -0.250035D+02 -0.855030D+01  0.554550D+01  0.193401D+02
      4   0.285240D+01 -0.520738D-01  0.210105D+01 -0.142905D+01 -0.128487D+01
      5   0.303371D+01  0.190506D+02  0.363279D+01 -0.461795D+01 -0.598001D+01
      6  -0.579088D+01 -0.153510D+01 -0.302631D+01  0.655936D+01  0.741669D+01
               106           107           108           109           110 
      1   0.585110D+01 -0.332000D+01 -0.219607D+02  0.475599D+01  0.251328D+01
      2   0.100755D+02 -0.469473D+01 -0.278233D+02 -0.157103D+02  0.122852D+01
      3  -0.159266D+02  0.801473D+01  0.497841D+02  0.109543D+02 -0.374180D+01
      4  -0.825749D-01 -0.183444D+01 -0.171126D+01 -0.114939D+02  0.719918D+01
      5   0.153091D+02 -0.455007D+01 -0.179582D+02  0.287453D+02 -0.607988D+01
      6  -0.147876D+01  0.716150D+01  0.208337D+01 -0.934766D+01  0.932371D+01
               111           112           113           114           115 
      1  -0.328046D+01  0.177113D+01 -0.190057D+01  0.245189D+01 -0.205581D+01
      2  -0.132146D+02  0.179317D+01  0.209308D+01  0.477909D+00 -0.778666D+01
      3   0.164951D+02 -0.356430D+01 -0.192504D+00 -0.292980D+01  0.984246D+01
      4  -0.865488D+01  0.763077D+01 -0.296772D+01  0.426364D+01 -0.530606D+01
      5   0.258743D+02 -0.592169D+01  0.486689D+01 -0.614514D+01  0.171464D+02
      6  -0.113103D+02  0.653692D+01 -0.663274D+01  0.885895D+01 -0.736041D+01
               116           117           118           119           120 
      1   0.190326D+01 -0.841102D+01 -0.338843D+01  0.152008D+02 -0.468531D+01
      2  -0.527994D-01 -0.147884D+02  0.109674D+02 -0.274501D+02  0.314899D+01
      3  -0.185046D+01  0.231994D+02 -0.757894D+01  0.122494D+02  0.153632D+01
      4   0.264230D+01 -0.622696D+01 -0.690591D+01  0.144008D+02 -0.384676D+01
      5  -0.495278D+01  0.166575D+02  0.143226D+01 -0.467213D+01  0.286626D+01
      6   0.629958D+01 -0.933119D+01 -0.675929D+01  0.106953D+02 -0.621345D+01
               121           122           123           124           125 
      1   0.884343D+01 -0.378777D+02  0.746624D+01 -0.158713D+01  0.448469D+01
      2  -0.146365D+02  0.686542D+02 -0.984378D+01  0.826761D-01 -0.438317D+01
      3   0.579312D+01 -0.307765D+02  0.237754D+01  0.150446D+01 -0.101519D+00
      4   0.117440D+02 -0.101897D+02  0.755837D+00 -0.210961D+01  0.396786D+00
      5  -0.389193D+01  0.308015D+01 -0.861170D+00  0.269071D+01 -0.877160D+00
      6   0.454094D+01 -0.250962D+02  0.135216D+02 -0.299521D+01  0.121257D+02
               126           127           128           129           130 
      1  -0.589721D+01  0.226269D+02  0.333452D+01 -0.211884D+01  0.200980D+01
      2   0.548218D+01 -0.350764D+01  0.637549D+01  0.819846D+00  0.329511D+01
      3   0.415035D+00 -0.191192D+02 -0.971001D+01  0.129900D+01 -0.530491D+01
      4  -0.279475D+01  0.384325D+02  0.241201D+02 -0.138327D+02  0.150200D+02
      5   0.121197D+01 -0.231747D+02 -0.106930D+02  0.131703D+02 -0.527170D+01
      6  -0.368410D+01 -0.174168D+02 -0.119397D+02  0.135001D+02 -0.656761D+01
               131           132           133           134           135 
      1  -0.160318D+01  0.795388D+00 -0.294328D+01  0.979095D+00  0.110571D+01
      2   0.103721D+02 -0.363759D+01  0.238319D+01 -0.327571D+01 -0.419410D+01
      3  -0.876888D+01  0.284220D+01  0.560090D+00  0.229661D+01  0.308839D+01
      4   0.105530D+02 -0.544826D+01 -0.112735D+02 -0.700332D+01  0.846406D+01
      5  -0.492879D+01  0.359803D+01  0.132824D+02  0.542770D+01 -0.866597D+01
      6  -0.882188D+01  0.548466D+01  0.101943D+02  0.806607D+01 -0.836229D+01
               136           137           138           139           140 
      1  -0.136528D+01  0.152638D+01  0.388983D+00  0.262592D+01 -0.404585D+01
      2  -0.468201D+01 -0.149500D+01  0.552819D+01 -0.369342D+01  0.154678D+01
      3   0.604729D+01 -0.313872D-01 -0.591717D+01  0.106749D+01  0.249906D+01
      4  -0.132353D+01  0.548471D+01  0.440844D+01  0.137827D+01 -0.299993D+01
      5  -0.596899D+01  0.163946D+01  0.129022D+02 -0.289304D+01 -0.247483D+01
      6   0.237968D+01 -0.310966D+01 -0.337873D+01 -0.130261D+01  0.192765D+01
               141           142           143           144           145 
      1   0.339895D+00 -0.179086D+01 -0.654352D+01 -0.296946D+02  0.766486D+01
      2   0.752381D+01  0.664259D+01  0.114448D+01 -0.279013D+02  0.676229D+01
      3  -0.786371D+01 -0.485173D+01  0.539905D+01  0.575959D+02 -0.144272D+02
      4  -0.135219D+01  0.464357D+01 -0.377762D+01 -0.894530D+01 -0.208743D+02
      5   0.445793D+01  0.116578D+02 -0.371842D+01 -0.262555D+02 -0.492608D+01
      6   0.531299D+01 -0.472460D+01  0.106443D+02  0.260262D+02  0.467915D+01
               146           147           148           149           150 
      1   0.760037D+00  0.208342D+01 -0.309238D+00 -0.157929D+02 -0.220013D+01
      2  -0.148388D+02 -0.195063D+01 -0.130093D+02  0.428935D+02  0.155155D+01
      3   0.140788D+02 -0.132783D+00  0.133186D+02 -0.271006D+02  0.648584D+00
      4   0.271888D+02  0.430933D+01  0.220666D+02 -0.355697D+02 -0.323607D+01
      5   0.727218D+01  0.517188D+01  0.530042D+01 -0.521981D+01 -0.397409D+01
      6  -0.879610D+01 -0.526767D+01 -0.693805D+01  0.145364D+02  0.806981D+01
               151           152           153           154           155 
      1   0.320780D+01 -0.362217D+00 -0.477480D+01  0.750313D+01 -0.795919D+00
      2   0.103613D+01 -0.723056D+01  0.179052D+01 -0.816647D+00  0.709213D+01
      3  -0.424393D+01  0.759278D+01  0.298428D+01 -0.668649D+01 -0.629621D+01
      4  -0.487442D+01  0.577782D+01 -0.492333D+01  0.206855D+02  0.194125D+02
      5   0.127998D+01 -0.294205D+01 -0.163380D+01  0.181198D+02  0.110139D+02
      6  -0.248219D+01  0.535272D+01  0.261178D+01  0.141187D+02  0.123126D+02
               156           157           158           159           160 
      1   0.124717D+01 -0.192272D+01 -0.643174D+01 -0.443309D+01  0.991009D+00
      2  -0.148055D+01  0.679777D+01  0.137345D+02  0.547865D+01 -0.193813D+01
      3   0.233383D+00 -0.487505D+01 -0.730273D+01 -0.104556D+01  0.947120D+00
      4   0.139449D+02  0.157665D+02  0.158848D+02  0.100578D+02  0.127707D+02
      5   0.158333D+02  0.758687D+01  0.954970D+01  0.741629D+01  0.155437D+02
      6   0.126054D+02  0.100170D+02  0.143570D+02  0.155016D+02  0.122451D+02
               161           162           163           164           165 
      1  -0.537111D+01 -0.702127D+01  0.111866D+02 -0.255972D+01  0.164546D+01
      2   0.458032D+01 -0.488850D+00 -0.120477D+02  0.618702D+01 -0.105407D+02
      3   0.790785D+00  0.751012D+01  0.861095D+00 -0.362730D+01  0.889522D+01
      4   0.114368D+02  0.135402D+02  0.250284D+02  0.150074D+02  0.177836D+02
      5   0.101752D+02  0.170174D+02  0.262588D+02  0.909897D+01  0.230207D+02
      6   0.181141D+02  0.203592D+02  0.178331D+02  0.107854D+02  0.167124D+02
               166           167           168           169           170 
      1  -0.699013D+00 -0.767116D+00 -0.115635D+01  0.307940D+01 -0.285171D+01
      2   0.346489D+01  0.297094D+01  0.119024D+01 -0.980367D+01  0.322444D+00
      3  -0.276587D+01 -0.220382D+01 -0.338921D-01  0.672427D+01  0.252927D+01
      4   0.788312D+01  0.541865D+01  0.341619D+01  0.161870D+02  0.635051D+01
      5   0.274324D+01  0.392947D+01  0.162075D+01  0.201803D+02  0.577180D+01
      6   0.447873D+01  0.294129D+01  0.655182D+01  0.123937D+02  0.125788D+02
               171           172           173           174           175 
      1  -0.492478D+01 -0.769584D+00 -0.118886D-01  0.759102D+00 -0.251076D+00
      2  -0.836449D+01  0.357831D+01  0.582960D+01 -0.384089D+01  0.558594D+01
      3   0.132893D+02 -0.280873D+01 -0.581771D+01  0.308179D+01 -0.533487D+01
      4   0.125835D+02  0.531120D+01  0.103188D+02 -0.159702D+01  0.101605D+02
      5   0.189253D+02  0.573147D+00  0.397625D+00  0.500033D+01  0.519590D+00
      6   0.179353D+02  0.628908D+00 -0.206358D+01  0.222321D+01 -0.207123D+01
               176           177           178           179           180 
      1  -0.170760D+02  0.540544D+01  0.310618D+00  0.113877D+02 -0.485656D+01
      2   0.437421D+02 -0.180249D+02 -0.477358D+01 -0.297718D+02  0.128761D+02
      3  -0.266661D+02  0.126195D+02  0.446297D+01  0.183842D+02 -0.801951D+01
      4   0.117603D+02 -0.542223D+01 -0.559068D+01 -0.981086D+01  0.483000D+01
      5  -0.301731D+01  0.233134D+01  0.315431D+01  0.281644D+01 -0.351081D+01
      6  -0.836739D+01  0.125797D+02  0.157540D+01  0.107258D+02 -0.154895D+02
               181           182           183           184           185 
      1  -0.396079D+01  0.118286D+02  0.114939D+02  0.616987D+01 -0.979446D+01
      2   0.494889D+00 -0.129093D+02 -0.259093D+01 -0.655211D+01  0.124665D+02
      3   0.346590D+01  0.108075D+01 -0.890301D+01  0.382239D+00 -0.267207D+01
      4  -0.183146D+02  0.113668D+02  0.127371D+02  0.900640D+01 -0.851419D+01
      5  -0.124869D+02  0.691755D+01  0.113448D+02  0.414883D+01 -0.594082D+01
      6   0.148881D+02 -0.161606D+02 -0.168087D+02 -0.906290D+01  0.107266D+02
               186           187           188           189           190 
      1  -0.715541D+01  0.793262D+01 -0.100211D+02 -0.139928D+02  0.700833D+01
      2   0.368553D+01 -0.233134D+01  0.514555D+01  0.104563D+01 -0.624987D+01
      3   0.346987D+01 -0.560129D+01  0.487551D+01  0.129472D+02 -0.758463D+00
      4  -0.684767D+01  0.121932D+02 -0.742216D+01 -0.772777D+01  0.408072D+01
      5  -0.363122D+01  0.109904D+02 -0.383132D+01 -0.734797D+01 -0.579829D+01
      6   0.127550D+02 -0.103698D+02  0.171808D+02  0.204613D+02 -0.140050D+01
               191           192           193           194           195 
      1   0.506602D+01 -0.390647D+01  0.114264D+02 -0.220373D+00 -0.152161D+01
      2  -0.341765D+01  0.527502D+01 -0.751003D+01  0.134136D+01  0.371219D+01
      3  -0.164838D+01 -0.136856D+01 -0.391632D+01 -0.112099D+01 -0.219058D+01
      4   0.383338D+01 -0.269230D+01  0.427945D+01  0.401669D+01 -0.747992D+01
      5  -0.379526D+01  0.133677D+02 -0.501015D+01 -0.731460D+01  0.124155D+02
      6  -0.794873D+00 -0.985493D-01 -0.129876D+00 -0.222743D+01  0.241697D+01
               196           197           198           199           200 
      1  -0.120072D+02 -0.482949D-01  0.554264D+01  0.757111D+01 -0.541661D+01
      2   0.909578D+01  0.315660D+01 -0.157845D+02 -0.239523D+00 -0.536443D+00
      3   0.291141D+01 -0.310830D+01  0.102418D+02 -0.733158D+01  0.595305D+01
      4  -0.115532D+01 -0.102351D+02  0.861220D+01 -0.859287D+01  0.147061D+02
      5   0.184275D+02  0.994255D+01 -0.326707D+02  0.744923D+00  0.330600D+01
      6  -0.137566D+01  0.395591D+01  0.119444D+01  0.154868D+01 -0.156887D+01
               201           202           203           204           205 
      1   0.139433D+01 -0.123722D+02 -0.360469D+01  0.443183D+00  0.178296D+01
      2  -0.108155D+01 -0.175652D+01  0.261981D+02  0.208431D+01 -0.139236D+01
      3  -0.312784D+00  0.141288D+02 -0.225934D+02 -0.252749D+01 -0.390600D+00
      4   0.282072D+01  0.254512D+02 -0.487077D+02 -0.764884D+01  0.352011D+01
      5   0.432383D+01  0.495921D+01 -0.680319D+01 -0.734261D+01  0.675043D+01
      6  -0.126214D+01 -0.288873D+01  0.892492D+01  0.819099D+01 -0.240384D+01
               206           207           208           209           210 
      1  -0.269904D+00  0.101527D+01  0.610897D+02  0.857590D+01  0.206407D+02
      2   0.237217D+01  0.339331D+00 -0.333016D+02 -0.513874D+01 -0.122828D+02
      3  -0.210226D+01 -0.135460D+01 -0.277880D+02 -0.343715D+01 -0.835785D+01
      4  -0.666186D+01 -0.443548D+01  0.429092D+01  0.104529D+02  0.172570D+01
      5  -0.469316D+01 -0.443753D+01  0.239996D+02  0.327581D+01  0.184227D+02
      6   0.715110D+01  0.285913D+01 -0.227432D+01  0.694118D+00 -0.175108D+01
               211           212           213           214           215 
      1   0.188063D+02  0.705546D+01  0.491801D+01  0.369361D+02  0.349789D+01
      2  -0.108305D+02 -0.151015D+01 -0.264647D+01 -0.212616D+02 -0.204551D+01
      3  -0.797583D+01 -0.554531D+01 -0.227154D+01 -0.156745D+02 -0.145239D+01
      4   0.123350D+02  0.259062D+01  0.365169D+01  0.171938D+01  0.710963D+01
      5   0.742538D+01  0.367396D+01  0.786040D+01  0.249567D+02  0.473206D+01
      6   0.106751D+01  0.195881D+01  0.197308D+01 -0.156423D+01  0.217870D+01
               216           217           218           219           220 
      1   0.153196D+02 -0.694301D+01 -0.501365D+01  0.147222D+02 -0.926489D+00
      2  -0.133816D+02 -0.583655D+01  0.158031D+01  0.448563D+01 -0.851697D+00
      3  -0.193791D+01  0.127796D+02  0.343334D+01 -0.192078D+02  0.177819D+01
      4   0.355922D+01  0.123337D+02  0.304672D+01 -0.660067D+01  0.307813D+01
      5   0.191236D+02 -0.205467D+02 -0.143717D+00  0.129649D+02  0.535801D+00
      6  -0.127627D+01 -0.480769D+01 -0.854998D+01  0.106213D+02 -0.405073D+01
               221           222           223           224           225 
      1  -0.277515D+01  0.580214D+00  0.914820D+01  0.148544D+01 -0.107949D+02
      2   0.430009D+01 -0.256054D+01  0.262647D+01 -0.112884D+01 -0.925857D+01
      3  -0.152494D+01  0.198033D+01 -0.117747D+02 -0.356606D+00  0.200535D+02
      4  -0.487257D+00 -0.116275D+01 -0.614760D+01 -0.195107D+01  0.465171D+01
      5  -0.264259D+01  0.306435D+01  0.140390D+02  0.181121D+01 -0.750543D+01
      6  -0.266952D+01  0.277031D+01  0.513080D+01  0.430630D+01 -0.639987D+01
               226           227           228           229           230 
      1   0.105238D+02  0.236291D+01  0.189710D+01  0.388324D+01 -0.602082D+00
      2  -0.213072D+02 -0.468724D+01 -0.219138D+02 -0.827871D+01 -0.537141D-01
      3   0.107834D+02  0.232434D+01  0.200167D+02  0.439547D+01  0.655796D+00
      4  -0.471015D+01  0.520282D+01 -0.538127D+01  0.289672D+01  0.297839D+00
      5   0.288067D+02  0.173456D+01  0.310761D+02  0.943891D+01  0.574784D+01
      6  -0.236731D+01  0.692945D+01 -0.389097D+01  0.444704D+01  0.196480D+01
               231           232           233           234           235 
      1  -0.174354D+01  0.279613D+01  0.469883D-01 -0.769781D+01 -0.198175D+00
      2  -0.100078D+02 -0.180650D+02 -0.363360D+01 -0.289748D+02  0.211457D+01
      3   0.117514D+02  0.152689D+02  0.358661D+01  0.366726D+02 -0.191640D+01
      4   0.219699D+01 -0.488069D+01  0.254876D+01 -0.306658D+01 -0.563614D+01
      5   0.107149D+02  0.261811D+02  0.277475D+01  0.319692D+02  0.293146D+01
      6   0.444406D+01 -0.223369D+01  0.625768D+01 -0.480765D+01 -0.370814D+01
               236           237           238           239           240 
      1  -0.690958D+00  0.518465D-01 -0.521912D+00 -0.222077D+02  0.593265D+01
      2  -0.580122D+01 -0.195335D+01 -0.670545D+01  0.492486D+02 -0.128117D+01
      3   0.649218D+01  0.190150D+01  0.722736D+01 -0.270409D+02 -0.465148D+01
      4   0.111785D+02 -0.176328D+01  0.130040D+02 -0.252043D+02  0.326453D+01
      5  -0.366850D+01  0.581846D+01 -0.534611D+01  0.684099D+01 -0.369881D+01
      6   0.564123D+01 -0.139246D+01  0.646479D+01 -0.323544D+02  0.122396D+02
               241           242           243 
      1  -0.426379D+00  0.419381D+00 -0.142585D+01
      2  -0.227050D+01  0.469266D+01  0.184112D+01
      3   0.269687D+01 -0.511204D+01 -0.415273D+00
      4   0.120521D+01 -0.258536D+01 -0.139121D+01
      5   0.334433D+01 -0.376734D+00  0.102934D+01
      6  -0.283481D+00  0.443303D+01  0.329609D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.146809D+01      0.373152D+01      0.124470D+02
   x          0.139959D+01      0.355741D+01      0.118662D+02
   y          0.437978D+00      0.111323D+01      0.371333D+01
   z         -0.679413D-01     -0.172690D+00     -0.576030D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.130190D+03      0.192922D+02      0.214655D+02
   aniso      0.843415D+01      0.124981D+01      0.139060D+01
   xx         0.134727D+03      0.199645D+02      0.222135D+02
   yx         0.139843D+01      0.207226D+00      0.230570D+00
   yy         0.129804D+03      0.192349D+02      0.214017D+02
   zx        -0.332858D+00     -0.493244D-01     -0.548808D-01
   zy         0.163337D+01      0.242040D+00      0.269306D+00
   zz         0.126040D+03      0.186772D+02      0.207812D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.138442D+03      0.205150D+02      0.228260D+02
   aniso      0.104261D+02      0.154500D+01      0.171904D+01
   xx         0.144099D+03      0.213532D+02      0.237587D+02
   yx         0.180548D+01      0.267544D+00      0.297683D+00
   yy         0.137568D+03      0.203855D+02      0.226819D+02
   zx        -0.710548D+00     -0.105292D+00     -0.117153D+00
   zy         0.215675D+01      0.319598D+00      0.355600D+00
   zz         0.133659D+03      0.198063D+02      0.220374D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.54114775         -1.18635291          1.46004599
     6          1.24680151         -0.38699774         -0.75559519
     6          2.59316047          1.98059903          0.37331617
     6          0.58306790          3.19657923          2.13202997
     6         -1.73941599          1.48904935          1.72633656
     6         -0.66136345          0.76633565         -2.58171319
     6         -2.69634562          2.02283631         -0.96295777
     6          2.98408504         -2.33271697         -1.90975808
     8         -0.57672363          0.72259733         -4.86168892
     6          0.84897606         -2.07825645          3.82935125
     6         -2.42638242         -3.25193665          0.71355410
     1          4.26342130          1.37467593          1.41467326
     1          3.23928843          3.25435425         -1.11144336
     1          0.17744283          5.15163864          1.62682475
     1          1.19771865          3.19053775          4.09589708
     1         -4.52335992          1.16136432         -1.37067334
     1         -2.84832177          4.02850930         -1.41518628
     1         -3.18299073          1.64816362          3.18509888
     1          4.04862619         -1.51348956         -3.47361861
     1          1.92443754         -3.93547605         -2.65715134
     1          4.33044726         -3.03592853         -0.51514196
     1          2.29540617         -0.76916802          4.47598730
     1          1.75847251         -3.89785925          3.48899424
     1         -0.49707051         -2.33788442          5.37318197
     1         -3.39598317         -2.87948386         -1.06395466
     1         -3.86179570         -3.47285866          2.17983001
     1         -1.46058315         -5.06273044          0.51253614

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.146809D+01      0.373152D+01      0.124470D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.146809D+01      0.373152D+01      0.124470D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.130190D+03      0.192922D+02      0.214655D+02
   aniso      0.843415D+01      0.124981D+01      0.139060D+01
   xx         0.127313D+03      0.188659D+02      0.209911D+02
   yx        -0.231199D+01     -0.342601D+00     -0.381195D+00
   yy         0.128208D+03      0.189984D+02      0.211386D+02
   zx        -0.461974D+00     -0.684575D-01     -0.761693D-01
   zy        -0.491063D+00     -0.727681D-01     -0.809654D-01
   zz         0.135050D+03      0.200123D+02      0.222667D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.138442D+03      0.205150D+02      0.228260D+02
   aniso      0.104261D+02      0.154500D+01      0.171904D+01
   xx         0.135269D+03      0.200449D+02      0.223029D+02
   yx        -0.283007D+01     -0.419373D+00     -0.466615D+00
   yy         0.135531D+03      0.200837D+02      0.223461D+02
   zx        -0.303809D+00     -0.450198D-01     -0.500913D-01
   zy        -0.600881D+00     -0.890413D-01     -0.990718D-01
   zz         0.144525D+03      0.214164D+02      0.238290D+02

 ----------------------------------------------------------------------
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 UNLESS WE CHANGE DIRECTIONS, WE WILL WIND UP WHERE WE ARE HEADED.
     -- CONFUCIUS
 Job cpu time:       0 days  9 hours 11 minutes 13.2 seconds.
 Elapsed time:       0 days  1 hours  8 minutes 57.1 seconds.
 File lengths (MBytes):  RWF=    464 Int=      0 D2E=      0 Chk=     20 Scr=      1
 Normal termination of Gaussian 16 at Wed Mar 16 21:10:05 2022.
